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.

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Diphenhydramine Hydrochloride, USP, 98-102%, Spectrum™ Chemical

CAS: 147-24-0 Molecular Formula: C17H22ClNO Molecular Weight (g/mol): 291.82 MDL Number: MFCD00012479 InChI Key: PCHPORCSPXIHLZ-UHFFFAOYSA-N IUPAC Name: hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride SMILES: [H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

CAS	147-24-0
Molecular Weight (g/mol)	291.82
MDL Number	MFCD00012479
SMILES	[H+].[Cl-].CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	hydrogen [2-(diphenylmethoxy)ethyl]dimethylamine chloride
InChI Key	PCHPORCSPXIHLZ-UHFFFAOYSA-N
Molecular Formula	C17H22ClNO

Sodium salicylate, 99%

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

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Specifications

PubChem CID	16760658
CAS	54-21-7
Molecular Weight (g/mol)	160.104
ChEBI	CHEBI:9180
MDL Number	MFCD00002440
SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym	sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name	sodium;2-hydroxybenzoate
InChI Key	ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula	C7H5NaO3

Benzyl alcohol, 99%

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

2,4-Dinitrophenylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 55907-61-4 Molecular Formula: C6H7ClN4O4 Molecular Weight (g/mol): 234.60 MDL Number: MFCD00050688 InChI Key: PUYFAZQODQZOFK-UHFFFAOYSA-N PubChem CID: 5463312 IUPAC Name: hydrogen (2,4-dinitrophenyl)hydrazine chloride SMILES: [H+].[Cl-].NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O

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Specifications

PubChem CID	5463312
CAS	55907-61-4
Molecular Weight (g/mol)	234.60
MDL Number	MFCD00050688
SMILES	[H+].[Cl-].NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
IUPAC Name	hydrogen (2,4-dinitrophenyl)hydrazine chloride
InChI Key	PUYFAZQODQZOFK-UHFFFAOYSA-N
Molecular Formula	C6H7ClN4O4

Benzyl Alcohol (Certified ACS), Fisher Chemical™

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Specifications

PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

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Fisher Scientific Sodium Salicylate (Powder/Certified), Fisher Chemical

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Specifications

PubChem CID	16760658
CAS	54-21-7
Molecular Weight (g/mol)	160.104
ChEBI	CHEBI:9180
MDL Number	MFCD00002440
SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym	sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name	sodium;2-hydroxybenzoate
InChI Key	ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula	C7H5NaO3

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Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™

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Specifications

PubChem CID	16760658
CAS	54-21-7
Molecular Weight (g/mol)	160.104
ChEBI	CHEBI:9180
MDL Number	MFCD00002440
SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym	sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name	sodium;2-hydroxybenzoate
InChI Key	ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula	C7H5NaO3

2,6-Di-tert-butyl-p-cresol 99.0+%, TCI America™

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

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Specifications

PubChem CID	31404
CAS	128-37-0
Molecular Weight (g/mol)	220.356
ChEBI	CHEBI:34247
MDL Number	MFCD00011644
SMILES	CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym	2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name	2,6-ditert-butyl-4-methylphenol
InChI Key	NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula	C15H24O

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

Diphenylphosphoryl azide, 98%

CAS: 26386-88-9 Molecular Formula: C12H10N3O3P Molecular Weight (g/mol): 275.20 MDL Number: MFCD00001987 InChI Key: SORGEQQSQGNZFI-UHFFFAOYSA-N Synonym: diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av PubChem CID: 123414 IUPAC Name: [azido(phenoxy)phosphoryl]oxybenzene SMILES: [N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1

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Specifications

PubChem CID	123414
CAS	26386-88-9
Molecular Weight (g/mol)	275.20
MDL Number	MFCD00001987
SMILES	[N-]=[N+]=NP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
Synonym	diphenylphosphoryl azide,diphenyl azidophosphate,diphenylphosphonic azide,diphenyl phosphoryl azide,diphenyl phosphorazidate,phosphorazidic acid, diphenyl ester,azido phenoxy phosphoryl oxy benzene,dppa polymer-bound,diphenylphosphorazidate,unii-gxm91165av
IUPAC Name	[azido(phenoxy)phosphoryl]oxybenzene
InChI Key	SORGEQQSQGNZFI-UHFFFAOYSA-N
Molecular Formula	C12H10N3O3P

o-Anisaldehyde, 98%

CAS: 135-02-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003308 InChI Key: PKZJLOCLABXVMC-UHFFFAOYSA-N Synonym: o-anisaldehyde,benzaldehyde, 2-methoxy,2-anisaldehyde,o-methoxybenzaldehyde,6-methoxybenzaldehyde,salicylaldehyde methyl ether,2-methoxybenzenecarboxaldehyde,benzaldehyde, o-methoxy,2-methoxyphenylformaldehyde,formylanisole, o PubChem CID: 8658 IUPAC Name: 2-methoxybenzaldehyde SMILES: COC1=CC=CC=C1C=O

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Specifications

PubChem CID	8658
CAS	135-02-4
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00003308
SMILES	COC1=CC=CC=C1C=O
Synonym	o-anisaldehyde,benzaldehyde, 2-methoxy,2-anisaldehyde,o-methoxybenzaldehyde,6-methoxybenzaldehyde,salicylaldehyde methyl ether,2-methoxybenzenecarboxaldehyde,benzaldehyde, o-methoxy,2-methoxyphenylformaldehyde,formylanisole, o
IUPAC Name	2-methoxybenzaldehyde
InChI Key	PKZJLOCLABXVMC-UHFFFAOYSA-N
Molecular Formula	C8H8O2

2,4,6-Trimethoxybenzaldehyde, 98%

CAS: 830-79-5 Molecular Formula: C₁₀H₁₂O₄ Molecular Weight (g/mol): 196.2 MDL Number: MFCD00003313 InChI Key: CRBZVDLXAIFERF-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4,6-trimethoxy,2,4,6-trimethoxybenz aldehyde,pubchem8264,acmc-1cuhn,ksc490m2h,2,4,6-trimethoxy-benzaldehyde,2,4,6-trimethoxybenz-aldehyde,2,4,6-trimethoxy benz aldehyde,crbzvdlxaiferf-uhfffaoysa,1-formyl-2,4,6-trimethoxybenzene PubChem CID: 70019 IUPAC Name: 2,4,6-trimethoxybenzaldehyde SMILES: COC1=CC(=C(C(=C1)OC)C=O)OC

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Specifications

PubChem CID	70019
CAS	830-79-5
Molecular Weight (g/mol)	196.2
MDL Number	MFCD00003313
SMILES	COC1=CC(=C(C(=C1)OC)C=O)OC
Synonym	benzaldehyde, 2,4,6-trimethoxy,2,4,6-trimethoxybenz aldehyde,pubchem8264,acmc-1cuhn,ksc490m2h,2,4,6-trimethoxy-benzaldehyde,2,4,6-trimethoxybenz-aldehyde,2,4,6-trimethoxy benz aldehyde,crbzvdlxaiferf-uhfffaoysa,1-formyl-2,4,6-trimethoxybenzene
IUPAC Name	2,4,6-trimethoxybenzaldehyde
InChI Key	CRBZVDLXAIFERF-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₂O₄

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

4-Aminophenyl ether, 98%

CAS: 101-80-4 Molecular Formula: C₁₂H₁₂N₂O Molecular Weight (g/mol): 200.24 MDL Number: MFCD00007863 InChI Key: HLBLWEWZXPIGSM-UHFFFAOYSA-N Synonym: 4,4'-oxydianiline,4,4'-diaminodiphenyl ether,4,4-oxydianiline,4-aminophenyl ether,4,4'-oxybisbenzenamine,oxydianiline,4-4-aminophenoxy aniline,diaminodiphenyl ether,benzenamine, 4,4'-oxybis,p,p'-oxydianiline PubChem CID: 7579 ChEBI: CHEBI:34384 IUPAC Name: 4-(4-aminophenoxy)aniline SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)N

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Specifications

PubChem CID	7579
CAS	101-80-4
Molecular Weight (g/mol)	200.24
ChEBI	CHEBI:34384
MDL Number	MFCD00007863
SMILES	C1=CC(=CC=C1N)OC2=CC=C(C=C2)N
Synonym	4,4'-oxydianiline,4,4'-diaminodiphenyl ether,4,4-oxydianiline,4-aminophenyl ether,4,4'-oxybisbenzenamine,oxydianiline,4-4-aminophenoxy aniline,diaminodiphenyl ether,benzenamine, 4,4'-oxybis,p,p'-oxydianiline
IUPAC Name	4-(4-aminophenoxy)aniline
InChI Key	HLBLWEWZXPIGSM-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₂N₂O

3,4-Dichlorobenzyl bromide, 97%

CAS: 18880-04-1 Molecular Formula: C₇H₅BrCl₂ Molecular Weight (g/mol): 239.93 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl

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Specifications

PubChem CID	639726
CAS	18880-04-1
Molecular Weight (g/mol)	239.93
MDL Number	MFCD00041363
SMILES	C1=CC(=C(C=C1CBr)Cl)Cl
Synonym	3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763
IUPAC Name	4-(bromomethyl)-1,2-dichlorobenzene
InChI Key	XLWSBDFQAJXCQX-UHFFFAOYSA-N
Molecular Formula	C₇H₅BrCl₂

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Benzene and substituted derivatives

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Diphenhydramine Hydrochloride, USP, 98-102%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

2,4-Dinitrophenylhydrazine Hydrochloride 98.0+%, TCI America™ Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Benzyl Alcohol (Certified ACS), Fisher Chemical™ GSA/VA ContractAvailable on GSA/VA contract for Federal Government customers.Learn More

2,6-Di-tert-butyl-p-cresol 99.0+%, TCI America™ Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Diphenhydramine Hydrochloride, USP, 98-102%, Spectrum™ Chemical

2,4-Dinitrophenylhydrazine Hydrochloride 98.0+%, TCI America™

Benzyl Alcohol (Certified ACS), Fisher Chemical™

2,6-Di-tert-butyl-p-cresol 99.0+%, TCI America™