Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

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Specifications

Linear Formula	ClC₆H₄CO₃H
Molecular Weight (g/mol)	172.56
ChEBI	CHEBI:52091
CAS Min %	25.0
InChI Key	NHQDETIJWKXCTC-UHFFFAOYSA-N
Density	0.5600g/mL
PubChem CID	70297
Name Note	70 - 75%
Percent Purity	70-75%
Fieser	01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number	SD9470000
Formula Weight	172.57
Melting Point	92.0°C to 94.0°C
CAS Max %	30.0
Color	White
Physical Form	Moist Powder
SMILES	OOC(=O)C1=CC=CC(Cl)=C1
Merck Index	15,2154
Assay Percent Range	di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS	7732-18-5
Health Hazard 3	GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Keep/Store away from clothing/ combustible materials. IF SWALLOWED: rin
MDL Number	MFCD00002127
Health Hazard 2	GHS H Statement Causes severe skin burns and eye damage. Harmful if swallowed. Heating may cause a fire.
Solubility Information	Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1	GHS Signal Word: Danger
Synonym	3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA	TSCA
IUPAC Name	3-chlorobenzenecarboperoxoic acid
Beilstein	09,IV,972
Molecular Formula	C7H5ClO3
EINECS Number	213-322-3
Specific Gravity	0.56

Naphthalene-2-sulfonic acid sodium salt, 98%, may cont. up to 10% residual inorganic salts and water

CAS: 532-02-5 Molecular Formula: C10H7NaO3S Molecular Weight (g/mol): 230.21 MDL Number: MFCD00064186 InChI Key: YWPOLRBWRRKLMW-UHFFFAOYSA-M Synonym: sodium 2-naphthalenesulfonate,sodium naphthalene-2-sulfonate,2-naphthalenesulfonic acid sodium salt,2-naphthalenesulfonic acid, sodium salt,unii-r5f0ctd2oj,sodium-2-naphthalenesulfonate,sodium naphthalene-6-sulfonate,2-naphthalene sulfonic acid sodium salt,sodium beta-naphthalenesulfonate,sodium naphthalene-2-sulphonate PubChem CID: 23661868 SMILES: [Na+].[O-]S(=O)(=O)C1=CC=C2C=CC=CC2=C1

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Specifications

PubChem CID	23661868
CAS	532-02-5
Molecular Weight (g/mol)	230.21
MDL Number	MFCD00064186
SMILES	[Na+].[O-]S(=O)(=O)C1=CC=C2C=CC=CC2=C1
Synonym	sodium 2-naphthalenesulfonate,sodium naphthalene-2-sulfonate,2-naphthalenesulfonic acid sodium salt,2-naphthalenesulfonic acid, sodium salt,unii-r5f0ctd2oj,sodium-2-naphthalenesulfonate,sodium naphthalene-6-sulfonate,2-naphthalene sulfonic acid sodium salt,sodium beta-naphthalenesulfonate,sodium naphthalene-2-sulphonate
InChI Key	YWPOLRBWRRKLMW-UHFFFAOYSA-M
Molecular Formula	C10H7NaO3S

Calconcarboxylic acid

CAS: 3737-95-9 Molecular Formula: C21H14N2O7S Molecular Weight (g/mol): 438.41 MDL Number: MFCD00004078 InChI Key: ULIVOAKVRBXKKS-PYCFMQQDSA-N Synonym: calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn PubChem CID: 5895210 IUPAC Name: 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O

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Specifications

PubChem CID	5895210
CAS	3737-95-9
Molecular Weight (g/mol)	438.41
MDL Number	MFCD00004078
SMILES	C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O
Synonym	calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn
IUPAC Name	3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid
InChI Key	ULIVOAKVRBXKKS-PYCFMQQDSA-N
Molecular Formula	C21H14N2O7S

Thermo Scientific Chemicals Calconcarboxylic acid, indicator grade

CAS: 3737-95-9 Molecular Formula: C₂₁H₁₄N₂O₇S Molecular Weight (g/mol): 438.4 MDL Number: MFCD00004078 InChI Key: ULIVOAKVRBXKKS-PYCFMQQDSA-N Synonym: calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn PubChem CID: 5895210 IUPAC Name: 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O

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Specifications

PubChem CID	5895210
CAS	3737-95-9
Molecular Weight (g/mol)	438.4
MDL Number	MFCD00004078
SMILES	C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O
Synonym	calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn
IUPAC Name	3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid
InChI Key	ULIVOAKVRBXKKS-PYCFMQQDSA-N
Molecular Formula	C₂₁H₁₄N₂O₇S

Thermo Scientific Chemicals Flufenamic acid, 97%

CAS: 530-78-9 Molecular Formula: C₁₄H₁₀F₃NO₂ Molecular Weight (g/mol): 281.22 MDL Number: MFCD00002422 InChI Key: LPEPZBJOKDYZAD-UHFFFAOYSA-N Synonym: flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene PubChem CID: 3371 ChEBI: CHEBI:42638 IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F

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Specifications

PubChem CID	3371
CAS	530-78-9
Molecular Weight (g/mol)	281.22
ChEBI	CHEBI:42638
MDL Number	MFCD00002422
SMILES	C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F
Synonym	flufenamic acid,fluphenamic acid,nichisedan,achless,arlef,flufacid,fullsafe,lanceat,paraflu,plostene
IUPAC Name	2-[3-(trifluoromethyl)anilino]benzoic acid
InChI Key	LPEPZBJOKDYZAD-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₀F₃NO₂

4-Methoxyphenylacetic acid, 99%

CAS: 104-01-8 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004345 InChI Key: NRPFNQUDKRYCNX-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid PubChem CID: 7690 ChEBI: CHEBI:55501 IUPAC Name: 2-(4-methoxyphenyl)acetic acid SMILES: COC1=CC=C(C=C1)CC(=O)O

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Specifications

PubChem CID	7690
CAS	104-01-8
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:55501
MDL Number	MFCD00004345
SMILES	COC1=CC=C(C=C1)CC(=O)O
Synonym	4-methoxyphenylacetic acid,homoanisic acid,2-4-methoxyphenyl acetic acid,4-methoxybenzeneacetic acid,benzeneacetic acid, 4-methoxy,4-methoxyphenyl acetic acid,p-methoxyphenylacetic acid,2-p-anisyl acetic acid,p-methoxyphenyl acetic acid
IUPAC Name	2-(4-methoxyphenyl)acetic acid
InChI Key	NRPFNQUDKRYCNX-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₃

4-Phenoxybenzoic acid, 98%

CAS: 2215-77-2 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002539 InChI Key: RYAQFHLUEMJOMF-UHFFFAOYSA-N Synonym: p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh PubChem CID: 75182 ChEBI: CHEBI:72632 IUPAC Name: 4-phenoxybenzoic acid SMILES: OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	75182
CAS	2215-77-2
Molecular Weight (g/mol)	214.22
ChEBI	CHEBI:72632
MDL Number	MFCD00002539
SMILES	OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh
IUPAC Name	4-phenoxybenzoic acid
InChI Key	RYAQFHLUEMJOMF-UHFFFAOYSA-N
Molecular Formula	C13H10O3

4-Fluorophenylacetic acid, 98%

CAS: 405-50-5 Molecular Formula: C₈H₇FO₂ Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004343 InChI Key: MGKPFALCNDRSQD-UHFFFAOYSA-N Synonym: 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid PubChem CID: 9837 IUPAC Name: 2-(4-fluorophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)F

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Specifications

PubChem CID	9837
CAS	405-50-5
Molecular Weight (g/mol)	154.14
MDL Number	MFCD00004343
SMILES	C1=CC(=CC=C1CC(=O)O)F
Synonym	4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid
IUPAC Name	2-(4-fluorophenyl)acetic acid
InChI Key	MGKPFALCNDRSQD-UHFFFAOYSA-N
Molecular Formula	C₈H₇FO₂

m-Anisic acid, 98%

CAS: 586-38-9 Molecular Formula: C₈H₈O₃ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002499 InChI Key: XHQZJYCNDZAGLW-UHFFFAOYSA-N Synonym: m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 PubChem CID: 11461 IUPAC Name: 3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1)C(=O)O

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Specifications

PubChem CID	11461
CAS	586-38-9
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00002499
SMILES	COC1=CC=CC(=C1)C(=O)O
Synonym	m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425
IUPAC Name	3-methoxybenzoic acid
InChI Key	XHQZJYCNDZAGLW-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₃

2-Fluorophenylboronic acid, 98%

CAS: 1993-03-9 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00674013 InChI Key: QCSLIRFWJPOENV-UHFFFAOYSA-N Synonym: 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro PubChem CID: 2734354 IUPAC Name: (2-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1F

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Specifications

PubChem CID	2734354
CAS	1993-03-9
Molecular Weight (g/mol)	139.92
MDL Number	MFCD00674013
SMILES	OB(O)C1=CC=CC=C1F
Synonym	2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro
IUPAC Name	(2-fluorophenyl)boronic acid
InChI Key	QCSLIRFWJPOENV-UHFFFAOYSA-N
Molecular Formula	C6H6BFO2

4-Amino-3-methoxybenzoic acid, 98%

CAS: 2486-69-3 Molecular Formula: C₈H₉NO₃ Molecular Weight (g/mol): 167.16 MDL Number: MFCD00016539 InChI Key: JNFGLYJROFAOQP-UHFFFAOYSA-N Synonym: 4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid PubChem CID: 288057 IUPAC Name: 4-amino-3-methoxybenzoic acid SMILES: COC1=C(C=CC(=C1)C(=O)O)N

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Specifications

PubChem CID	288057
CAS	2486-69-3
Molecular Weight (g/mol)	167.16
MDL Number	MFCD00016539
SMILES	COC1=C(C=CC(=C1)C(=O)O)N
Synonym	4-amino-3-methoxy-benzoic acid,3-methoxy-4-aminobenzoic acid,4-amino-m-anisic acid,benzoic acid, 4-amino-3-methoxy,o-anisidine-4-carboxylic acid,4-amino-3-methoxy benzoic acid,timtec-bb sbb008622,4-amino-3-methoxybenzoic,4-amino-3-methoxybenzoic acid,4-amino-3-methoxybenzoicacid
IUPAC Name	4-amino-3-methoxybenzoic acid
InChI Key	JNFGLYJROFAOQP-UHFFFAOYSA-N
Molecular Formula	C₈H₉NO₃

2-Bromo-4,5-difluorobenzoic acid, 97%

CAS: 64695-84-7 Molecular Formula: C₇H₃BrF₂O₂ Molecular Weight (g/mol): 237 MDL Number: MFCD04973422 InChI Key: DGCBGBZYTNTZJH-UHFFFAOYSA-N Synonym: 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid PubChem CID: 2782789 IUPAC Name: 2-bromo-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Br)C(=O)O

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Specifications

PubChem CID	2782789
CAS	64695-84-7
Molecular Weight (g/mol)	237
MDL Number	MFCD04973422
SMILES	C1=C(C(=CC(=C1F)F)Br)C(=O)O
Synonym	2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid
IUPAC Name	2-bromo-4,5-difluorobenzoic acid
InChI Key	DGCBGBZYTNTZJH-UHFFFAOYSA-N
Molecular Formula	C₇H₃BrF₂O₂

alpha-Bromo-p-toluic acid, 97%

CAS: 6232-88-8 Molecular Formula: C₈H₇BrO₂ Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002567 InChI Key: CQQSQBRPAJSTFB-UHFFFAOYSA-N Synonym: 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid PubChem CID: 22599 IUPAC Name: 4-(bromomethyl)benzoic acid SMILES: C1=CC(=CC=C1CBr)C(=O)O

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Specifications

PubChem CID	22599
CAS	6232-88-8
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00002567
SMILES	C1=CC(=CC=C1CBr)C(=O)O
Synonym	4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid
IUPAC Name	4-(bromomethyl)benzoic acid
InChI Key	CQQSQBRPAJSTFB-UHFFFAOYSA-N
Molecular Formula	C₈H₇BrO₂

Pararosaniline base

CAS: 467-62-9 Molecular Formula: C₁₉H₁₉N₃O Molecular Weight (g/mol): 305.38 MDL Number: MFCD00036222 InChI Key: KRVRUAYUNOQMOV-UHFFFAOYSA-N Synonym: pararosaniline base,tris 4-aminophenyl methanol,tris p-aminophenyl methanol,benzenemethanol, 4-amino-.alpha.,.alpha.-bis 4-aminophenyl,tris 4-aminophenyl methan-1-ol,fuchsin dye base,parafuchsin carbinol,tris 4-aminophenyl carbinol,methanol, tris 4-aminophenyl,4,4',4-triaminotrityl alcohol PubChem CID: 10084 IUPAC Name: tris(4-aminophenyl)methanol SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C3=CC=C(C=C3)N)O)N

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Specifications

PubChem CID	10084
CAS	467-62-9
Molecular Weight (g/mol)	305.38
MDL Number	MFCD00036222
SMILES	C1=CC(=CC=C1C(C2=CC=C(C=C2)N)(C3=CC=C(C=C3)N)O)N
Synonym	pararosaniline base,tris 4-aminophenyl methanol,tris p-aminophenyl methanol,benzenemethanol, 4-amino-.alpha.,.alpha.-bis 4-aminophenyl,tris 4-aminophenyl methan-1-ol,fuchsin dye base,parafuchsin carbinol,tris 4-aminophenyl carbinol,methanol, tris 4-aminophenyl,4,4',4-triaminotrityl alcohol
IUPAC Name	tris(4-aminophenyl)methanol
InChI Key	KRVRUAYUNOQMOV-UHFFFAOYSA-N
Molecular Formula	C₁₉H₁₉N₃O

Miconazole Free Base MP Biomedicals

CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1

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Specifications

PubChem CID	4189
CAS	22916-47-8
Molecular Weight (g/mol)	416.12
ChEBI	CHEBI:82892
MDL Number	MFCD00216019
SMILES	ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
Synonym	miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm
IUPAC Name	1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole
InChI Key	BYBLEWFAAKGYCD-UHFFFAOYNA-N
Molecular Formula	C18H14Cl4N2O

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