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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1,261 – 1,275 of 57,364 results

1,261

3,4-Diaminoanisole dihydrochloride, 98%

CAS: 59548-39-9 Molecular Formula: C₇H₁₀N₂O·₂ClH Molecular Weight (g/mol): 211.09 InChI Key: SXCHMHOBHJOXGC-UHFFFAOYSA-N Synonym: 4-methoxybenzene-1,2-diamine dihydrochloride,4-methoxy-o-phenylenediamine dihydrochloride,3,4-diaminoanisole dihydrochloride,1,2-benzenediamine, 4-methoxy-, dihydrochloride,3,4-diaminoanisole 2hcl,4-methoxy-phenylenediamine dihydrochloride,4-methoxy-1,2-benzenediamine dihydrochloride,4-methoxy-benzene-1,2-diamine dihydrochloride,4-methoxy-1,2-phenylenediamine dihydrochloride,4-methoxy-l,2-phenylene diamine dihydrochloride PubChem CID: 3085161 IUPAC Name: 4-methoxybenzene-1,2-diamine;dihydrochloride SMILES: COC1=CC(=C(C=C1)N)N.Cl.Cl

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Specifications

PubChem CID	3085161
CAS	59548-39-9
Molecular Weight (g/mol)	211.09
SMILES	COC1=CC(=C(C=C1)N)N.Cl.Cl
Synonym	4-methoxybenzene-1,2-diamine dihydrochloride,4-methoxy-o-phenylenediamine dihydrochloride,3,4-diaminoanisole dihydrochloride,1,2-benzenediamine, 4-methoxy-, dihydrochloride,3,4-diaminoanisole 2hcl,4-methoxy-phenylenediamine dihydrochloride,4-methoxy-1,2-benzenediamine dihydrochloride,4-methoxy-benzene-1,2-diamine dihydrochloride,4-methoxy-1,2-phenylenediamine dihydrochloride,4-methoxy-l,2-phenylene diamine dihydrochloride
IUPAC Name	4-methoxybenzene-1,2-diamine;dihydrochloride
InChI Key	SXCHMHOBHJOXGC-UHFFFAOYSA-N
Molecular Formula	C₇H₁₀N₂O·₂ClH

1,262

4-chloro-2,5-dimethoxyaniline, 97%, Thermo Scientific™

CAS: 6358-64-1 Molecular Formula: C8H10ClNO2 Molecular Weight (g/mol): 187.62 MDL Number: MFCD00014893 InChI Key: YGUFQYGSBVXPMC-UHFFFAOYSA-N Synonym: 2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718 PubChem CID: 22833 IUPAC Name: 4-chloro-2,5-dimethoxyaniline SMILES: COC1=CC(Cl)=C(OC)C=C1N

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Specifications

PubChem CID	22833
CAS	6358-64-1
Molecular Weight (g/mol)	187.62
MDL Number	MFCD00014893
SMILES	COC1=CC(Cl)=C(OC)C=C1N
Synonym	2,5-dimethoxy-4-chloroaniline,benzenamine, 4-chloro-2,5-dimethoxy,aniline, 4-chloro-2,5-dimethoxy,unii-t659iw8p4s,4-chloro-2,5-dimethoxyphenylamine,pubchem4366,acmc-1b2t2,dsstox_cid_20718,dsstox_rid_79565,dsstox_gsid_40718
IUPAC Name	4-chloro-2,5-dimethoxyaniline
InChI Key	YGUFQYGSBVXPMC-UHFFFAOYSA-N
Molecular Formula	C8H10ClNO2

1,263

LiChropur™ N-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, For chiral derivatization, ≥99.0%, MilliporeSigma™ Supelco™

MDL Number: MFCD00042049 Synonym: FDAA; Marfey′s reagent

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Specifications

MDL Number	MFCD00042049
Synonym	FDAA; Marfey′s reagent

1,264

2,6-Difluoro-3-methoxyaniline, 97%

CAS: 144851-62-7 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.14 MDL Number: MFCD04115898 InChI Key: XVLHUQRLEPQGDI-UHFFFAOYSA-N Synonym: benzenamine,2,6-difluoro-3-methoxy,acmc-20dww5,2,6-difluoro-m-anisidine,3-amino-2,4-difluoroanisole,2,6-difluoro-3-methoxyphenylamine,benzenamine, 2,6-difluoro-3-methoxy-9ci PubChem CID: 3871278 IUPAC Name: 2,6-difluoro-3-methoxyaniline SMILES: COC1=C(F)C(N)=C(F)C=C1

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Specifications

PubChem CID	3871278
CAS	144851-62-7
Molecular Weight (g/mol)	159.14
MDL Number	MFCD04115898
SMILES	COC1=C(F)C(N)=C(F)C=C1
Synonym	benzenamine,2,6-difluoro-3-methoxy,acmc-20dww5,2,6-difluoro-m-anisidine,3-amino-2,4-difluoroanisole,2,6-difluoro-3-methoxyphenylamine,benzenamine, 2,6-difluoro-3-methoxy-9ci
IUPAC Name	2,6-difluoro-3-methoxyaniline
InChI Key	XVLHUQRLEPQGDI-UHFFFAOYSA-N
Molecular Formula	C7H7F2NO

1,265

5-chloro-2-methoxyphenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 63429-99-2 Molecular Formula: C8H6ClNOS Molecular Weight (g/mol): 199.652 MDL Number: MFCD00041073 InChI Key: WGLDKQQXEWPFAR-UHFFFAOYSA-N Synonym: 5-chloro-2-methoxyphenyl isothiocyanate,4-chloro-2-isothiocyanato-1-methoxy-benzene,2-methoxy-5-chlorophenyl isothiocyanate,5-chloro-2-methoxybenzenisothiocyanate,4-chloranyl-2-isothiocyanato-1-methoxy-benzene,acmc-20am4k,4-chloro-2-isothiocyanatoanisole,5-chloro-2-methoxyphenylisothiocyanate,5-chloro-2-methoxyphenyl-isothiocyanate,benzene, 4-chloro-2-isothiocyanato-1-methoxy PubChem CID: 737165 IUPAC Name: 4-chloro-2-isothiocyanato-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Cl)N=C=S

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Specifications

PubChem CID	737165
CAS	63429-99-2
Molecular Weight (g/mol)	199.652
MDL Number	MFCD00041073
SMILES	COC1=C(C=C(C=C1)Cl)N=C=S
Synonym	5-chloro-2-methoxyphenyl isothiocyanate,4-chloro-2-isothiocyanato-1-methoxy-benzene,2-methoxy-5-chlorophenyl isothiocyanate,5-chloro-2-methoxybenzenisothiocyanate,4-chloranyl-2-isothiocyanato-1-methoxy-benzene,acmc-20am4k,4-chloro-2-isothiocyanatoanisole,5-chloro-2-methoxyphenylisothiocyanate,5-chloro-2-methoxyphenyl-isothiocyanate,benzene, 4-chloro-2-isothiocyanato-1-methoxy
IUPAC Name	4-chloro-2-isothiocyanato-1-methoxybenzene
InChI Key	WGLDKQQXEWPFAR-UHFFFAOYSA-N
Molecular Formula	C8H6ClNOS

1,266

3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O

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Specifications

PubChem CID	87843
CAS	18908-07-1
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00002019
SMILES	COC1=CC=CC(=C1)N=C=O
Synonym	3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
IUPAC Name	1-isocyanato-3-methoxybenzene
InChI Key	NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molecular Formula	C8H7NO2

1,267

Methyl 4-iodobenzoate, 98%

CAS: 619-44-3 Molecular Formula: C₈H₇IO₂ Molecular Weight (g/mol): 262.04 MDL Number: MFCD00016353 InChI Key: DYUWQWMXZHDZOR-UHFFFAOYSA-N Synonym: methyl p-iodobenzoate,4-iodobenzoic acid methyl ester,benzoic acid, 4-iodo-, methyl ester,4-iodo-benzoic acid methyl ester,benzoic acid, p-iodo-, methyl ester,methyl-4-iodobenzoate,methyl 4-iodo-benzoate,methyl-4-iodo-benzoate,pubchem20378,methyl para-iodobenzoate PubChem CID: 69273 IUPAC Name: methyl 4-iodobenzoate SMILES: COC(=O)C1=CC=C(C=C1)I

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Specifications

PubChem CID	69273
CAS	619-44-3
Molecular Weight (g/mol)	262.04
MDL Number	MFCD00016353
SMILES	COC(=O)C1=CC=C(C=C1)I
Synonym	methyl p-iodobenzoate,4-iodobenzoic acid methyl ester,benzoic acid, 4-iodo-, methyl ester,4-iodo-benzoic acid methyl ester,benzoic acid, p-iodo-, methyl ester,methyl-4-iodobenzoate,methyl 4-iodo-benzoate,methyl-4-iodo-benzoate,pubchem20378,methyl para-iodobenzoate
IUPAC Name	methyl 4-iodobenzoate
InChI Key	DYUWQWMXZHDZOR-UHFFFAOYSA-N
Molecular Formula	C₈H₇IO₂

1,268

Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N IUPAC Name: 2-(acetyloxy)benzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

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Specifications

CAS	50-78-2
Molecular Weight (g/mol)	180.16
MDL Number	MFCD00002430
SMILES	CC(=O)OC1=CC=CC=C1C(O)=O
IUPAC Name	2-(acetyloxy)benzoic acid
InChI Key	BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula	C9H8O4

1,269

3-Fluorobenzoic acid, 99%

CAS: 455-38-9 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002489 InChI Key: MXNBDFWNYRNIBH-UHFFFAOYSA-N Synonym: m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 PubChem CID: 9968 ChEBI: CHEBI:20021 IUPAC Name: 3-fluorobenzoic acid SMILES: OC(=O)C1=CC=CC(F)=C1

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Specifications

PubChem CID	9968
CAS	455-38-9
Molecular Weight (g/mol)	140.11
ChEBI	CHEBI:20021
MDL Number	MFCD00002489
SMILES	OC(=O)C1=CC=CC(F)=C1
Synonym	m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192
IUPAC Name	3-fluorobenzoic acid
InChI Key	MXNBDFWNYRNIBH-UHFFFAOYSA-N
Molecular Formula	C7H5FO2

1,270

Methyl 2-bromo-4-methylbenzoate, 98%

CAS: 87808-49-9 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD03840737 InChI Key: DJTUYAFJAGLQCK-UHFFFAOYSA-N Synonym: methyl2-bromo-4-methylbenzoate,2-bromo-4-methylbenzoic acid methyl ester,benzoic acid, 2-bromo-4-methyl-, methyl ester,pubchem14035,acmc-209qq7,ksc495m0h,methyl 2-bromo-4-methyl-benzoate,2-bromo-4-methyl-benzoic acid methyl ester PubChem CID: 21779704 IUPAC Name: methyl 2-bromo-4-methylbenzoate SMILES: CC1=CC(=C(C=C1)C(=O)OC)Br

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Specifications

PubChem CID	21779704
CAS	87808-49-9
Molecular Weight (g/mol)	229.073
MDL Number	MFCD03840737
SMILES	CC1=CC(=C(C=C1)C(=O)OC)Br
Synonym	methyl2-bromo-4-methylbenzoate,2-bromo-4-methylbenzoic acid methyl ester,benzoic acid, 2-bromo-4-methyl-, methyl ester,pubchem14035,acmc-209qq7,ksc495m0h,methyl 2-bromo-4-methyl-benzoate,2-bromo-4-methyl-benzoic acid methyl ester
IUPAC Name	methyl 2-bromo-4-methylbenzoate
InChI Key	DJTUYAFJAGLQCK-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

1,271

4-Chlorobenzoyl chloride, 98%

CAS: 122-01-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00000686 InChI Key: RKIDDEGICSMIJA-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-chloro,p-chlorobenzoyl chloride,para-chlorobenzoyl chloride,4-chlorobenzoic acid chloride,4-chlorobenzoylchloride,4-chloro benzoyl chloride,benzoylchloride, 4-chloro,benzoyl chloride, p-chloro,ccris 8935,pcboc PubChem CID: 8501 ChEBI: CHEBI:60716 IUPAC Name: 4-chlorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)Cl

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Specifications

PubChem CID	8501
CAS	122-01-0
Molecular Weight (g/mol)	175.008
ChEBI	CHEBI:60716
MDL Number	MFCD00000686
SMILES	C1=CC(=CC=C1C(=O)Cl)Cl
Synonym	benzoyl chloride, 4-chloro,p-chlorobenzoyl chloride,para-chlorobenzoyl chloride,4-chlorobenzoic acid chloride,4-chlorobenzoylchloride,4-chloro benzoyl chloride,benzoylchloride, 4-chloro,benzoyl chloride, p-chloro,ccris 8935,pcboc
IUPAC Name	4-chlorobenzoyl chloride
InChI Key	RKIDDEGICSMIJA-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O

1,272

3-Bromo-4-fluorobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 1007-16-5 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD00042463 InChI Key: ONELILMJNOWXSA-UHFFFAOYSA-M Synonym: 3-bromo-4-fluoro-benzoic acid,4-fluoro-3-bromo benzoic acid,3-bromo-4-fluorobenzoicacid,rarechem al bo 0604,buttpark 20\01-58,benzoic acid, 3-bromo-4-fluoro,3-bromo-4-fluorbenzoic acid,pubchem1320,3-bromo-4-fiuorobenzoic acid,5-bromo-4-fluorobenzoic acid PubChem CID: 70509 SMILES: [O-]C(=O)C1=CC=C(F)C(Br)=C1

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Specifications

PubChem CID	70509
CAS	1007-16-5
Molecular Weight (g/mol)	218.00
MDL Number	MFCD00042463
SMILES	[O-]C(=O)C1=CC=C(F)C(Br)=C1
Synonym	3-bromo-4-fluoro-benzoic acid,4-fluoro-3-bromo benzoic acid,3-bromo-4-fluorobenzoicacid,rarechem al bo 0604,buttpark 20\01-58,benzoic acid, 3-bromo-4-fluoro,3-bromo-4-fluorbenzoic acid,pubchem1320,3-bromo-4-fiuorobenzoic acid,5-bromo-4-fluorobenzoic acid
InChI Key	ONELILMJNOWXSA-UHFFFAOYSA-M
Molecular Formula	C7H3BrFO2

1,273

4-Bromo-3,5-difluorobenzoic acid, 96%, Thermo Scientific Chemicals

CAS: 651027-00-8 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237.00 MDL Number: MFCD18917156 InChI Key: NLLRAEQVOZOSBB-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-3,5-difluoro,4-bromo-3,5-difluorobenzoicacid,3,5-difluoro-4-bromobenzoic acid PubChem CID: 11424897 IUPAC Name: 4-bromo-3,5-difluorobenzoic acid SMILES: OC(=O)C1=CC(F)=C(Br)C(F)=C1

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Specifications

PubChem CID	11424897
CAS	651027-00-8
Molecular Weight (g/mol)	237.00
MDL Number	MFCD18917156
SMILES	OC(=O)C1=CC(F)=C(Br)C(F)=C1
Synonym	benzoic acid, 4-bromo-3,5-difluoro,4-bromo-3,5-difluorobenzoicacid,3,5-difluoro-4-bromobenzoic acid
IUPAC Name	4-bromo-3,5-difluorobenzoic acid
InChI Key	NLLRAEQVOZOSBB-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O2

1,274

2,5-Dibromobenzoic acid, 98%

CAS: 610-71-9 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 MDL Number: MFCD00016494 InChI Key: SQQKOTVDGCJJKI-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dibromo,rarechem fh 1w 0049,pubchem3859,2,5-dibromobenzoicacid,2,5-dibromo-benzoic acid,benzoicacid, 2,5-dibromo,4-09-00-01027 beilstein handbook reference,ksc353s4r,acmc-1b114,2,5-dibromobenzoic acid PubChem CID: 11891 IUPAC Name: 2,5-dibromobenzoic acid SMILES: OC(=O)C1=CC(Br)=CC=C1Br

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Specifications

PubChem CID	11891
CAS	610-71-9
Molecular Weight (g/mol)	279.92
MDL Number	MFCD00016494
SMILES	OC(=O)C1=CC(Br)=CC=C1Br
Synonym	benzoic acid, 2,5-dibromo,rarechem fh 1w 0049,pubchem3859,2,5-dibromobenzoicacid,2,5-dibromo-benzoic acid,benzoicacid, 2,5-dibromo,4-09-00-01027 beilstein handbook reference,ksc353s4r,acmc-1b114,2,5-dibromobenzoic acid
IUPAC Name	2,5-dibromobenzoic acid
InChI Key	SQQKOTVDGCJJKI-UHFFFAOYSA-N
Molecular Formula	C7H4Br2O2

1,275

Ethyl 3-bromobenzoate, 98+%

CAS: 24398-88-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013529 InChI Key: QAUASTLEZAPQTB-UHFFFAOYSA-N PubChem CID: 90488 IUPAC Name: ethyl 3-bromobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Br

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Specifications

PubChem CID	90488
CAS	24398-88-7
Molecular Weight (g/mol)	229.073
MDL Number	MFCD00013529
SMILES	CCOC(=O)C1=CC(=CC=C1)Br
IUPAC Name	ethyl 3-bromobenzoate
InChI Key	QAUASTLEZAPQTB-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

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Benzene and substituted derivatives

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Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical