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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.
Hydroxybenzoic Acid Derivatives (44,067)
Aminobenzoic acids and derivatives (12,880)
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Phenylcarbamic acid esters (1,711)
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826 – 840 of 119,426 results
826
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Diallyl phthalate, 97%

CAS: 131-17-9 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00008646 InChI Key: QUDWYFHPNIMBFC-UHFFFAOYSA-N Synonym: diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st PubChem CID: 8560 IUPAC Name: bis(prop-2-enyl) benzene-1,2-dicarboxylate SMILES: C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C

PubChem CID 8560
CAS 131-17-9
Molecular Weight (g/mol) 246.262
MDL Number MFCD00008646
SMILES C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
Synonym diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st
IUPAC Name bis(prop-2-enyl) benzene-1,2-dicarboxylate
InChI Key QUDWYFHPNIMBFC-UHFFFAOYSA-N
Molecular Formula C14H14O4
827
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3,4-Dimethylbenzaldehyde, 97%

CAS: 5973-71-7 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00016612 InChI Key: POQJHLBMLVTHAU-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde PubChem CID: 22278 IUPAC Name: 3,4-dimethylbenzaldehyde SMILES: CC1=C(C=C(C=C1)C=O)C

PubChem CID 22278
CAS 5973-71-7
Molecular Weight (g/mol) 134.178
MDL Number MFCD00016612
SMILES CC1=C(C=C(C=C1)C=O)C
Synonym benzaldehyde, 3,4-dimethyl,unii-16g1j12arb,4-formyl-o-xylene,o-xylene-4-carboxaldehyde,3,4-dimethyl-benzaldehyde,3 pound not4-dimethylbenzaldehyde,pubchem2535,3,4 dimethyl benzaldehyde,3,4-di-methylbenzaldehyde,3,4-dimethyl benzaldehyde
IUPAC Name 3,4-dimethylbenzaldehyde
InChI Key POQJHLBMLVTHAU-UHFFFAOYSA-N
Molecular Formula C9H10O
828

4-Biphenylcarboxylic acid, 98%

CAS: 92-92-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00002553 InChI Key: NNJMFJSKMRYHSR-UHFFFAOYSA-N Synonym: 4-biphenylcarboxylic acid,biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid,p-phenylbenzoic acid,4-carboxybiphenyl,para phenyl benzoic acid,4-diphenylcarboxylic acid,diphenyl-4-carboxylic acid,4-carboxy-1,1'-biphenyl PubChem CID: 66724 IUPAC Name: 4-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

PubChem CID 66724
CAS 92-92-2
Molecular Weight (g/mol) 198.22
MDL Number MFCD00002553
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
Synonym 4-biphenylcarboxylic acid,biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid,p-phenylbenzoic acid,4-carboxybiphenyl,para phenyl benzoic acid,4-diphenylcarboxylic acid,diphenyl-4-carboxylic acid,4-carboxy-1,1'-biphenyl
IUPAC Name 4-phenylbenzoic acid
InChI Key NNJMFJSKMRYHSR-UHFFFAOYSA-N
Molecular Formula C13H10O2
829
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Benzoic acid, 99%, extra pure

CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00002398 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

PubChem CID 243
CAS 65-85-0
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:30746
MDL Number MFCD00002398
SMILES C1=CC=C(C=C1)C(=O)O
Synonym benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
IUPAC Name benzoic acid
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Molecular Formula C7H6O2
830
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3-chlorobenzaldehyde, 99%

CAS: 587-04-2 Molecular Formula: C7H5ClO Molecular Weight (g/mol): 140.57 MDL Number: MFCD00003350 InChI Key: SRWILAKSARHZPR-UHFFFAOYSA-N Synonym: m-chlorobenzaldehyde,benzaldehyde, 3-chloro,mcad,meta-chlorobenzaldehyde,benzaldehyde, m-chloro,3-chloro benzaldehyde,3-chloro-benzaldehyde,benzaldehyde, 3-chloro-9ci,ccris 8613,3-chiorobenzaldehyde PubChem CID: 11477 IUPAC Name: 3-chlorobenzaldehyde SMILES: C1=CC(=CC(=C1)Cl)C=O

PubChem CID 11477
CAS 587-04-2
Molecular Weight (g/mol) 140.57
MDL Number MFCD00003350
SMILES C1=CC(=CC(=C1)Cl)C=O
Synonym m-chlorobenzaldehyde,benzaldehyde, 3-chloro,mcad,meta-chlorobenzaldehyde,benzaldehyde, m-chloro,3-chloro benzaldehyde,3-chloro-benzaldehyde,benzaldehyde, 3-chloro-9ci,ccris 8613,3-chiorobenzaldehyde
IUPAC Name 3-chlorobenzaldehyde
InChI Key SRWILAKSARHZPR-UHFFFAOYSA-N
Molecular Formula C7H5ClO
831
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4,4'-Biphenyldicarboxylic acid, 98%

CAS: 787-70-2 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00002554 InChI Key: NEQFBGHQPUXOFH-UHFFFAOYSA-N Synonym: biphenyl-4,4'-dicarboxylic acid,4,4'-biphenyldicarboxylic acid,1,1'-biphenyl-4,4'-dicarboxylic acid,4-4-carboxyphenyl benzoic acid,4,4'-bibenzoic acid,4,4'-diphenic acid,4,4'-dicarboxybiphenyl,p,p'-diphenic acid,usaf do-69,bibenzoic acid PubChem CID: 13084 IUPAC Name: 4-(4-carboxyphenyl)benzoic acid SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O

PubChem CID 13084
CAS 787-70-2
Molecular Weight (g/mol) 242.23
MDL Number MFCD00002554
SMILES C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O
Synonym biphenyl-4,4'-dicarboxylic acid,4,4'-biphenyldicarboxylic acid,1,1'-biphenyl-4,4'-dicarboxylic acid,4-4-carboxyphenyl benzoic acid,4,4'-bibenzoic acid,4,4'-diphenic acid,4,4'-dicarboxybiphenyl,p,p'-diphenic acid,usaf do-69,bibenzoic acid
IUPAC Name 4-(4-carboxyphenyl)benzoic acid
InChI Key NEQFBGHQPUXOFH-UHFFFAOYSA-N
Molecular Formula C14H10O4
832
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2,6-Dimethylbenzaldehyde, 97%

CAS: 1123-56-4 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00128003 InChI Key: QOJQBWSZHCKOLL-UHFFFAOYSA-N Synonym: m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde PubChem CID: 583841 IUPAC Name: 2,6-dimethylbenzaldehyde SMILES: CC1=C(C(=CC=C1)C)C=O

PubChem CID 583841
CAS 1123-56-4
Molecular Weight (g/mol) 134.178
MDL Number MFCD00128003
SMILES CC1=C(C(=CC=C1)C)C=O
Synonym m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde
IUPAC Name 2,6-dimethylbenzaldehyde
InChI Key QOJQBWSZHCKOLL-UHFFFAOYSA-N
Molecular Formula C9H10O
833
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4-Acetamidobenzoic acid, 98%

CAS: 556-08-1 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.175 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O

PubChem CID 19266
CAS 556-08-1
Molecular Weight (g/mol) 179.175
ChEBI CHEBI:46171
MDL Number MFCD00002534
SMILES CC(=O)NC1=CC=C(C=C1)C(=O)O
Synonym acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid
IUPAC Name 4-acetamidobenzoic acid
InChI Key QCXJEYYXVJIFCE-UHFFFAOYSA-N
Molecular Formula C9H9NO3
834

3-(2-Methyl-thiazol-4-yl)-benzaldehyde, 97%, Thermo Scientific™

CAS: 850375-05-2 Molecular Formula: C11H9NOS Molecular Weight (g/mol): 203.26 MDL Number: MFCD02681946 InChI Key: FQQPVEKQPGDYPD-UHFFFAOYSA-N PubChem CID: 7127782 IUPAC Name: 3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde SMILES: CC1=NC(=CS1)C1=CC(C=O)=CC=C1

PubChem CID 7127782
CAS 850375-05-2
Molecular Weight (g/mol) 203.26
MDL Number MFCD02681946
SMILES CC1=NC(=CS1)C1=CC(C=O)=CC=C1
IUPAC Name 3-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
InChI Key FQQPVEKQPGDYPD-UHFFFAOYSA-N
Molecular Formula C11H9NOS
836
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4-Ethylbenzaldehyde, 98%

CAS: 4748-78-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00006956 InChI Key: QNGNSVIICDLXHT-UHFFFAOYSA-N PubChem CID: 20861 IUPAC Name: 4-ethylbenzaldehyde SMILES: CCC1=CC=C(C=C1)C=O

PubChem CID 20861
CAS 4748-78-1
Molecular Weight (g/mol) 134.18
MDL Number MFCD00006956
SMILES CCC1=CC=C(C=C1)C=O
IUPAC Name 4-ethylbenzaldehyde
InChI Key QNGNSVIICDLXHT-UHFFFAOYSA-N
Molecular Formula C9H10O
837
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o-Tolualdehyde, 98%, stabilized

CAS: 529-20-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00003338 InChI Key: BTFQKIATRPGRBS-UHFFFAOYSA-N Synonym: o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde PubChem CID: 10722 ChEBI: CHEBI:27434 IUPAC Name: 2-methylbenzaldehyde SMILES: CC1=CC=CC=C1C=O

PubChem CID 10722
CAS 529-20-4
Molecular Weight (g/mol) 120.15
ChEBI CHEBI:27434
MDL Number MFCD00003338
SMILES CC1=CC=CC=C1C=O
Synonym o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde
IUPAC Name 2-methylbenzaldehyde
InChI Key BTFQKIATRPGRBS-UHFFFAOYSA-N
Molecular Formula C8H8O
838
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2-Ethylbenzaldehyde, 97%

CAS: 22927-13-5 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD02261766 InChI Key: NTWBHJYRDKBGBR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p PubChem CID: 123406 IUPAC Name: 2-ethylbenzaldehyde SMILES: CCC1=CC=CC=C1C=O

PubChem CID 123406
CAS 22927-13-5
Molecular Weight (g/mol) 134.18
MDL Number MFCD02261766
SMILES CCC1=CC=CC=C1C=O
Synonym benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p
IUPAC Name 2-ethylbenzaldehyde
InChI Key NTWBHJYRDKBGBR-UHFFFAOYSA-N
Molecular Formula C9H10O
839
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3-Formylphenylboronic acid, 97%

CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1

PubChem CID 2734356
CAS 87199-16-4
Molecular Weight (g/mol) 149.94
MDL Number MFCD00161356
SMILES OB(O)C1=CC=CC(C=O)=C1
Synonym 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid
IUPAC Name (3-formylphenyl)boronic acid
InChI Key HJBGZJMKTOMQRR-UHFFFAOYSA-N
Molecular Formula C7H7BO3
840
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Bis(2-ethylhexyl) phthalate, 98+%, Thermo Scientific Chemicals

CAS: 117-81-7 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00009493 InChI Key: BJQHLKABXJIVAM-UHFFFAOYSA-N Synonym: dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil PubChem CID: 8343 ChEBI: CHEBI:17747 IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

PubChem CID 8343
CAS 117-81-7
Molecular Weight (g/mol) 390.564
ChEBI CHEBI:17747
MDL Number MFCD00009493
SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
Synonym dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil
IUPAC Name bis(2-ethylhexyl) benzene-1,2-dicarboxylate
InChI Key BJQHLKABXJIVAM-UHFFFAOYSA-N
Molecular Formula C24H38O4