Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

1 – 15 of 31,443 results

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

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

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

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

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

Pricing & Availability
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

Hippuric Acid Analytical Standard, MilliporeSigma™ Supelco™

Hippuric acid, the glycine conjugate of benzoic acid, is formed via a biotransformation process. From scientific literature, it is reported to be found as an excretory product in urine. Hippuric acid is also known to be catabolically synthesized from benzene-type aromatic compounds.

Pricing & Availability
Specifications

Percent Purity	≥97.5% (GC)
CAS	495-69-2
MDL Number	MFCD00002692
UN Number	NONH for all modes of transport
Synonym	N-Benzoylglycine; Benzoylaminoacetic Acid
RTECS Number	MR8150000
Grade	Analytical Standard
Shelf Life	Limited shelf life, expiry date on the label
Molecular Formula	C9H9NO3
Formula Weight	179.17
Melting Point	187°C to 191°C (literature)

Carnosic Acid, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

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Rosolic acid

CAS: 603-45-2 Molecular Formula: C19H14O3 Molecular Weight (g/mol): 290.32 MDL Number: MFCD00001624 InChI Key: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonym: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone PubChem CID: 5100 ChEBI: CHEBI:34544 IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1

Pricing & Availability
Specifications

PubChem CID	5100
CAS	603-45-2
Molecular Weight (g/mol)	290.32
ChEBI	CHEBI:34544
MDL Number	MFCD00001624
SMILES	OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Synonym	aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
IUPAC Name	4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key	FYEHYMARPSSOBO-UHFFFAOYSA-N
Molecular Formula	C19H14O3

PubChem CID	5100
CAS	603-45-2
Molecular Weight (g/mol)	290.32
ChEBI	CHEBI:34544
MDL Number	MFCD00001624
SMILES	OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Synonym	aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
IUPAC Name	4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key	FYEHYMARPSSOBO-UHFFFAOYSA-N
Molecular Formula	C19H14O3

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

Pricing & Availability
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

4-(Dimethylamino)benzaldehyde, MilliporeSigma™

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	7479
CAS	100-10-7
Molecular Weight (g/mol)	149.19
MDL Number	MFCD00003381
SMILES	CN(C)C1=CC=C(C=O)C=C1
Synonym	4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name	4-(dimethylamino)benzaldehyde
InChI Key	BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula	C9H11NO

3-(N-Ethyl-3-methylanilino)-2-hydroxypropanesulfonic acid sodium salt, Spectrophotometric Det. of H2O2, MilliporeSigma™ Supelco™

MDL Number: MFCD00040641 Synonym: 3-(N-Ethyl-m-toluidino)-2-hydroxypropanesulfonic acid sodium salt; N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine sodium salt; Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate; Sodium N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine; TOOS

Pricing & Availability
Specifications

MDL Number	MFCD00040641
Synonym	3-(N-Ethyl-m-toluidino)-2-hydroxypropanesulfonic acid sodium salt; N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine sodium salt; Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate; Sodium N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine; TOOS

Terephthalic acid, 99+%

CAS: 100-21-0 Molecular Formula: C₈H₆O₄ Molecular Weight (g/mol): 166.13 MDL Number: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

Pricing & Availability
Specifications

PubChem CID	7489
CAS	100-21-0
Molecular Weight (g/mol)	166.13
ChEBI	CHEBI:15702
MDL Number	MFCD00002558
SMILES	C1=CC(=CC=C1C(=O)O)C(=O)O
Synonym	p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene
IUPAC Name	terephthalic acid
InChI Key	KKEYFWRCBNTPAC-UHFFFAOYSA-N
Molecular Formula	C₈H₆O₄

Salicylhydroxamic acid, 99%

CAS: 89-73-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00002110 InChI Key: HBROZNQEVUILML-UHFFFAOYSA-N Synonym: salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide PubChem CID: 66644 ChEBI: CHEBI:45615 IUPAC Name: N,2-dihydroxybenzamide SMILES: C1=CC=C(C(=C1)C(=O)NO)O

Pricing & Availability
Specifications

PubChem CID	66644
CAS	89-73-6
Molecular Weight (g/mol)	153.137
ChEBI	CHEBI:45615
MDL Number	MFCD00002110
SMILES	C1=CC=C(C(=C1)C(=O)NO)O
Synonym	salicylhydroxamic acid,2-hydroxybenzohydroxamic acid,salicylohydroxamic acid,sham,salicylohydroximic acid,benzamide, n,2-dihydroxy,2-hydroxybenzhydroxamic acid,o-hydroxybenzohydroxamic acid,sha,2,n-dihydroxy-benzamide
IUPAC Name	N,2-dihydroxybenzamide
InChI Key	HBROZNQEVUILML-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

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Benzene and substituted derivatives

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