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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4,441 – 4,455 of 57,266 results

4,441

2-Ethylbenzoic acid, 97%

CAS: 612-19-1 Molecular Formula: C₉H₁₀O₂ Molecular Weight (g/mol): 150.18 MDL Number: MFCD00045838 InChI Key: CGMMPMYKMDITEA-UHFFFAOYSA-N Synonym: benzoic acid, ethyl,o-ethylbenzoic acid,2-ethylbenzoicacidethylester,ethylbenzoic acid,pubchem9869,2-ethyl-benzoic acid,benzoic acid,2-ethyl,benzoic acid, 2-ethyl,acmc-1ax4g,2-ethylbenzoic acid PubChem CID: 34170 IUPAC Name: 2-ethylbenzoic acid SMILES: CCC1=CC=CC=C1C(=O)O

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Specifications

PubChem CID	34170
CAS	612-19-1
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00045838
SMILES	CCC1=CC=CC=C1C(=O)O
Synonym	benzoic acid, ethyl,o-ethylbenzoic acid,2-ethylbenzoicacidethylester,ethylbenzoic acid,pubchem9869,2-ethyl-benzoic acid,benzoic acid,2-ethyl,benzoic acid, 2-ethyl,acmc-1ax4g,2-ethylbenzoic acid
IUPAC Name	2-ethylbenzoic acid
InChI Key	CGMMPMYKMDITEA-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₂

4,442

o-Phthalaldehyde, MP Biomedicals™

CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: benzene-1,2-dicarbaldehyde SMILES: O=CC1=CC=CC=C1C=O

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Specifications

PubChem CID	4807
CAS	643-79-8
Molecular Weight (g/mol)	134.13
ChEBI	CHEBI:70851
MDL Number	MFCD00003335
SMILES	O=CC1=CC=CC=C1C=O
Synonym	o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde
IUPAC Name	benzene-1,2-dicarbaldehyde
InChI Key	ZWLUXSQADUDCSB-UHFFFAOYSA-N
Molecular Formula	C8H6O2

4,443

Di-n-pentyl phthalate, 98%

CAS: 131-18-0 Molecular Formula: C18H26O4 Molecular Weight (g/mol): 306.402 MDL Number: MFCD00041934 InChI Key: IPKKHRVROFYTEK-UHFFFAOYSA-N Synonym: dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester PubChem CID: 8561 ChEBI: CHEBI:34680 IUPAC Name: dipentyl benzene-1,2-dicarboxylate SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC

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Specifications

PubChem CID	8561
CAS	131-18-0
Molecular Weight (g/mol)	306.402
ChEBI	CHEBI:34680
MDL Number	MFCD00041934
SMILES	CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
Synonym	dipentyl phthalate,di-n-pentyl phthalate,diamyl phthalate,amyl phthalate,amoil,di-n-amyl phthalate,di-n-pentylphthalate,phthalic acid, dipentyl ester,phthalic acid diamyl ester,1,2-benzenedicarboxylic acid, dipentyl ester
IUPAC Name	dipentyl benzene-1,2-dicarboxylate
InChI Key	IPKKHRVROFYTEK-UHFFFAOYSA-N
Molecular Formula	C18H26O4

4,444

2-Chloro-6-methylbenzaldehyde, 98%

CAS: 1194-64-5 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.593 MDL Number: MFCD01934409 InChI Key: CCYFXIJPJFSTSU-UHFFFAOYSA-N PubChem CID: 12467050 IUPAC Name: 2-chloro-6-methylbenzaldehyde SMILES: CC1=C(C(=CC=C1)Cl)C=O

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Specifications

PubChem CID	12467050
CAS	1194-64-5
Molecular Weight (g/mol)	154.593
MDL Number	MFCD01934409
SMILES	CC1=C(C(=CC=C1)Cl)C=O
IUPAC Name	2-chloro-6-methylbenzaldehyde
InChI Key	CCYFXIJPJFSTSU-UHFFFAOYSA-N
Molecular Formula	C8H7ClO

4,445

3-Methylbenzoic anhydride, 97%

CAS: 21436-44-2 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00048083 InChI Key: DGZSQLHPEZFGSI-UHFFFAOYSA-N Synonym: 3-methylbenzoic anhydride,m-toluic anhydride,3-methylbenzene-1-carboxylic anhydride,benzoic acid, 3-methyl-, anhydride,3-methylbenzene-1-carboxylicanhydride,3-methylbenzoicanhydride,bis 3-methylbenzoic acid anhydride,3-methylbenzoyl 3-methylbenzoate,benzoic acid,3-methyl-, 1,1'-anhydride PubChem CID: 253301 IUPAC Name: (3-methylbenzoyl) 3-methylbenzoate SMILES: CC1=CC=CC(=C1)C(=O)OC(=O)C2=CC(=CC=C2)C

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Specifications

PubChem CID	253301
CAS	21436-44-2
Molecular Weight (g/mol)	254.285
MDL Number	MFCD00048083
SMILES	CC1=CC=CC(=C1)C(=O)OC(=O)C2=CC(=CC=C2)C
Synonym	3-methylbenzoic anhydride,m-toluic anhydride,3-methylbenzene-1-carboxylic anhydride,benzoic acid, 3-methyl-, anhydride,3-methylbenzene-1-carboxylicanhydride,3-methylbenzoicanhydride,bis 3-methylbenzoic acid anhydride,3-methylbenzoyl 3-methylbenzoate,benzoic acid,3-methyl-, 1,1'-anhydride
IUPAC Name	(3-methylbenzoyl) 3-methylbenzoate
InChI Key	DGZSQLHPEZFGSI-UHFFFAOYSA-N
Molecular Formula	C16H14O3

4,446

5-Bromo-2-chlorobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 189628-37-3 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD08445659 InChI Key: DPKKRQAEYWOISP-UHFFFAOYSA-N PubChem CID: 10608925 IUPAC Name: 5-bromo-2-chlorobenzaldehyde SMILES: ClC1=C(C=O)C=C(Br)C=C1

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Specifications

PubChem CID	10608925
CAS	189628-37-3
Molecular Weight (g/mol)	219.46
MDL Number	MFCD08445659
SMILES	ClC1=C(C=O)C=C(Br)C=C1
IUPAC Name	5-bromo-2-chlorobenzaldehyde
InChI Key	DPKKRQAEYWOISP-UHFFFAOYSA-N
Molecular Formula	C7H4BrClO

4,447

2,3-Dimethylbenzaldehyde, 97%

CAS: 5779-93-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00798004 InChI Key: UIFVCPMLQXKEEU-UHFFFAOYSA-N Synonym: benzaldehyde, dimethyl,hemellitaldehyde,dimethylbenzaldehyde,o-xylene-3-carboxaldehyde,dimethylformylbenzene,xylene-formaldehyde,pubchem3080,acmc-1ake8,2,3-dimethyl-benzaldehyde,2,3-dimethyl benzaldehyde PubChem CID: 34224 IUPAC Name: 2,3-dimethylbenzaldehyde SMILES: CC1=CC=CC(=C1C)C=O

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Specifications

PubChem CID	34224
CAS	5779-93-1
Molecular Weight (g/mol)	134.178
MDL Number	MFCD00798004
SMILES	CC1=CC=CC(=C1C)C=O
Synonym	benzaldehyde, dimethyl,hemellitaldehyde,dimethylbenzaldehyde,o-xylene-3-carboxaldehyde,dimethylformylbenzene,xylene-formaldehyde,pubchem3080,acmc-1ake8,2,3-dimethyl-benzaldehyde,2,3-dimethyl benzaldehyde
IUPAC Name	2,3-dimethylbenzaldehyde
InChI Key	UIFVCPMLQXKEEU-UHFFFAOYSA-N
Molecular Formula	C9H10O

4,448

4-Octylbenzaldehyde, 97%

CAS: 49763-66-8 Molecular Formula: C₁₅H₂₂O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00041872 InChI Key: IHKVZPVHTKOSLW-UHFFFAOYSA-N Synonym: benzaldehyde, 4-octyl,n-octylbenzaldehyde,4-n-octylbenzaldehyde,p-octylbenzaldehyde,paraoctylbenzaldehyde,p-n-octylbenzaldehyde,para-octylbenzaldehyde,p-octylbenzaldehyde, l PubChem CID: 2734685 IUPAC Name: 4-octylbenzaldehyde SMILES: CCCCCCCCC1=CC=C(C=C1)C=O

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Specifications

PubChem CID	2734685
CAS	49763-66-8
Molecular Weight (g/mol)	218.34
MDL Number	MFCD00041872
SMILES	CCCCCCCCC1=CC=C(C=C1)C=O
Synonym	benzaldehyde, 4-octyl,n-octylbenzaldehyde,4-n-octylbenzaldehyde,p-octylbenzaldehyde,paraoctylbenzaldehyde,p-n-octylbenzaldehyde,para-octylbenzaldehyde,p-octylbenzaldehyde, l
IUPAC Name	4-octylbenzaldehyde
InChI Key	IHKVZPVHTKOSLW-UHFFFAOYSA-N
Molecular Formula	C₁₅H₂₂O

4,449

Biphenyl-2-carboxylic acid, 98%

CAS: 947-84-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00002463 InChI Key: ILYSAKHOYBPSPC-UHFFFAOYSA-N Synonym: 2-biphenylcarboxylic acid,1,1'-biphenyl-2-carboxylic acid,o-phenylbenzoic acid,biphenyl-2-carboxylic acid,biphenylcarboxylic acid,1,1'-biphenyl carboxylic acid,diphenyl-2-carboxylic acid,phenylbenzoic acid PubChem CID: 70357 IUPAC Name: 2-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O

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Specifications

PubChem CID	70357
CAS	947-84-2
Molecular Weight (g/mol)	198.221
MDL Number	MFCD00002463
SMILES	C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
Synonym	2-biphenylcarboxylic acid,1,1'-biphenyl-2-carboxylic acid,o-phenylbenzoic acid,biphenyl-2-carboxylic acid,biphenylcarboxylic acid,1,1'-biphenyl carboxylic acid,diphenyl-2-carboxylic acid,phenylbenzoic acid
IUPAC Name	2-phenylbenzoic acid
InChI Key	ILYSAKHOYBPSPC-UHFFFAOYSA-N
Molecular Formula	C13H10O2

4,450

4-Fluorobenzaldehyde, 98+%

CAS: 459-57-4 Molecular Formula: C₇H₅FO Molecular Weight (g/mol): 124.11 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F

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Specifications

PubChem CID	68023
CAS	459-57-4
Molecular Weight (g/mol)	124.11
MDL Number	MFCD00003378
SMILES	C1=CC(=CC=C1C=O)F
Synonym	p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde
IUPAC Name	4-fluorobenzaldehyde
InChI Key	UOQXIWFBQSVDPP-UHFFFAOYSA-N
Molecular Formula	C₇H₅FO

4,451

4-Formylphenylboronic acid, 97%

CAS: 87199-17-5 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151823 InChI Key: VXWBQOJISHAKKM-UHFFFAOYSA-N Synonym: 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid PubChem CID: 591073 IUPAC Name: (4-formylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	591073
CAS	87199-17-5
Molecular Weight (g/mol)	149.94
MDL Number	MFCD00151823
SMILES	OB(O)C1=CC=C(C=O)C=C1
Synonym	4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid
IUPAC Name	(4-formylphenyl)boronic acid
InChI Key	VXWBQOJISHAKKM-UHFFFAOYSA-N
Molecular Formula	C7H7BO3

4,452

4-(2-Thienyl)benzoic acid, 96%

CAS: 29886-62-2 Molecular Formula: C11H8O2S Molecular Weight (g/mol): 204.243 MDL Number: MFCD00690742 InChI Key: CVDUBQJEQNRCIZ-UHFFFAOYSA-N Synonym: 4-thiophen-2-yl benzoic acid,4-2-thienyl benzoic acid,4-thiophen-2-yl-benzoic acid,benzoic acid,4-2-thienyl,benzoic acid, 4-2-thienyl,pubchem12353,acmc-1cb4z,4-2-thienyl benzoicacid,4-thien-2-ylbenzoic acid,amtda058 PubChem CID: 736498 IUPAC Name: 4-thiophen-2-ylbenzoic acid SMILES: C1=CSC(=C1)C2=CC=C(C=C2)C(=O)O

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Specifications

PubChem CID	736498
CAS	29886-62-2
Molecular Weight (g/mol)	204.243
MDL Number	MFCD00690742
SMILES	C1=CSC(=C1)C2=CC=C(C=C2)C(=O)O
Synonym	4-thiophen-2-yl benzoic acid,4-2-thienyl benzoic acid,4-thiophen-2-yl-benzoic acid,benzoic acid,4-2-thienyl,benzoic acid, 4-2-thienyl,pubchem12353,acmc-1cb4z,4-2-thienyl benzoicacid,4-thien-2-ylbenzoic acid,amtda058
IUPAC Name	4-thiophen-2-ylbenzoic acid
InChI Key	CVDUBQJEQNRCIZ-UHFFFAOYSA-N
Molecular Formula	C11H8O2S

4,453

4-Bromo-2,3-difluorobenzaldehyde, 98%

CAS: 644985-24-0 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.001 MDL Number: MFCD09258953 InChI Key: IMOLPSNRLZLWQR-UHFFFAOYSA-N Synonym: 2,3-difluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2,3-difluoro,1-bromo-2,3-difluoro-4-formylbenzene,pubchem10068,4-bromo-2,3-difluoro-benzaldehyde,4-bromanyl-2,3-bis fluoranyl benzaldehyde,4-bromo-2, 3-difluorobenzaldehyde PubChem CID: 26986390 IUPAC Name: 4-bromo-2,3-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1C=O)F)F)Br

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Specifications

PubChem CID	26986390
CAS	644985-24-0
Molecular Weight (g/mol)	221.001
MDL Number	MFCD09258953
SMILES	C1=CC(=C(C(=C1C=O)F)F)Br
Synonym	2,3-difluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2,3-difluoro,1-bromo-2,3-difluoro-4-formylbenzene,pubchem10068,4-bromo-2,3-difluoro-benzaldehyde,4-bromanyl-2,3-bis fluoranyl benzaldehyde,4-bromo-2, 3-difluorobenzaldehyde
IUPAC Name	4-bromo-2,3-difluorobenzaldehyde
InChI Key	IMOLPSNRLZLWQR-UHFFFAOYSA-N
Molecular Formula	C7H3BrF2O

4,454

4-Cyanobenzoic acid, 98%

CAS: 619-65-8 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00002528 InChI Key: ADCUEPOHPCPMCE-UHFFFAOYSA-N Synonym: p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid PubChem CID: 12087 IUPAC Name: 4-cyanobenzoic acid SMILES: C1=CC(=CC=C1C#N)C(=O)O

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Specifications

PubChem CID	12087
CAS	619-65-8
Molecular Weight (g/mol)	147.133
MDL Number	MFCD00002528
SMILES	C1=CC(=CC=C1C#N)C(=O)O
Synonym	p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid
IUPAC Name	4-cyanobenzoic acid
InChI Key	ADCUEPOHPCPMCE-UHFFFAOYSA-N
Molecular Formula	C8H5NO2

4,455

2,3,4-Trifluorobenzaldehyde, 98%, Thermo Scientific™

CAS: 161793-17-5 Molecular Formula: C₇H₃F₃O Molecular Weight (g/mol): 160.09 MDL Number: MFCD00061230 InChI Key: UQEDGFZRPSAHLC-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969 PubChem CID: 519226 IUPAC Name: 2,3,4-trifluorobenzaldehyde SMILES: C1=CC(=C(C(=C1C=O)F)F)F

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Specifications

PubChem CID	519226
CAS	161793-17-5
Molecular Weight (g/mol)	160.09
MDL Number	MFCD00061230
SMILES	C1=CC(=C(C(=C1C=O)F)F)F
Synonym	2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969
IUPAC Name	2,3,4-trifluorobenzaldehyde
InChI Key	UQEDGFZRPSAHLC-UHFFFAOYSA-N
Molecular Formula	C₇H₃F₃O

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