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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1,111 – 1,125 of 57,364 results

1,111

Ethyl 3-benzoylacrylate, predominantly trans, 94%

CAS: 17450-56-5 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.225 MDL Number: MFCD00011533 InChI Key: ACXLBHHUHSJENU-CMDGGOBGSA-N Synonym: ethyl 3-benzoylacrylate,ethyl 4-oxo-4-phenylbut-2-enoate,ethyl-3-benzoylacrylate,e-ethyl 4-oxo-4-phenylbut-2-enoate,ethyl trans-3-benzoylacrylate,trans-3-benzoylacrylic acid ethyl ester,ethyl 2e-4-oxo-4-phenylbut-2-enoate,ethyl e-4-oxo-4-phenylbut-2-enoate,trans-3-benzoylacrilic acid ethyl ester,ethyl=3-benzoylacrylate PubChem CID: 5369605 IUPAC Name: ethyl (E)-4-oxo-4-phenylbut-2-enoate SMILES: CCOC(=O)C=CC(=O)C1=CC=CC=C1

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Specifications

PubChem CID	5369605
CAS	17450-56-5
Molecular Weight (g/mol)	204.225
MDL Number	MFCD00011533
SMILES	CCOC(=O)C=CC(=O)C1=CC=CC=C1
Synonym	ethyl 3-benzoylacrylate,ethyl 4-oxo-4-phenylbut-2-enoate,ethyl-3-benzoylacrylate,e-ethyl 4-oxo-4-phenylbut-2-enoate,ethyl trans-3-benzoylacrylate,trans-3-benzoylacrylic acid ethyl ester,ethyl 2e-4-oxo-4-phenylbut-2-enoate,ethyl e-4-oxo-4-phenylbut-2-enoate,trans-3-benzoylacrilic acid ethyl ester,ethyl=3-benzoylacrylate
IUPAC Name	ethyl (E)-4-oxo-4-phenylbut-2-enoate
InChI Key	ACXLBHHUHSJENU-CMDGGOBGSA-N
Molecular Formula	C12H12O3

1,112

4-Fluorobenzaldehyde, 98%

CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 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)	124.114
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

1,113

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

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Specifications

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

1,114

2-Chloro-4-bromo-5-fluorobenzaldehyde, 98%

CAS: 1214386-29-4 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.452 MDL Number: MFCD13185877 InChI Key: XPEGZWLIWARWAA-UHFFFAOYSA-N Synonym: 2-chloro-4-bromo-5-fluorobenzaldehyde PubChem CID: 70680695 IUPAC Name: 4-bromo-2-chloro-5-fluorobenzaldehyde SMILES: C1=C(C(=CC(=C1F)Br)Cl)C=O

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Specifications

PubChem CID	70680695
CAS	1214386-29-4
Molecular Weight (g/mol)	237.452
MDL Number	MFCD13185877
SMILES	C1=C(C(=CC(=C1F)Br)Cl)C=O
Synonym	2-chloro-4-bromo-5-fluorobenzaldehyde
IUPAC Name	4-bromo-2-chloro-5-fluorobenzaldehyde
InChI Key	XPEGZWLIWARWAA-UHFFFAOYSA-N
Molecular Formula	C7H3BrClFO

1,115

m-Anisaldehyde, Spectrum™ Chemical

CAS: 591-31-1

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Specifications

CAS	591-31-1

1,116

Benzoyl isothiocyanate, 98%

CAS: 532-55-8 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00004815 InChI Key: CPEKAXYCDKETEN-UHFFFAOYSA-N Synonym: benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone PubChem CID: 68284 IUPAC Name: benzoyl isothiocyanate SMILES: C1=CC=C(C=C1)C(=O)N=C=S

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Specifications

PubChem CID	68284
CAS	532-55-8
Molecular Weight (g/mol)	163.194
MDL Number	MFCD00004815
SMILES	C1=CC=C(C=C1)C(=O)N=C=S
Synonym	benzoylthiocarbimide,benzoylisothiocyanate,benzoylisothiocyante,isothiocyanic acid benzoyl ester,unii-u8j7q32b86,n-benzoyl isothiocyanate,benzoic acid, anhydride with hncs,benzoic acid, anhydride with isothiocyanic acid,oxophenylmethanisothiocyanate,1-benzoyl acetone
IUPAC Name	benzoyl isothiocyanate
InChI Key	CPEKAXYCDKETEN-UHFFFAOYSA-N
Molecular Formula	C8H5NOS

1,117

3-Fluorobenzaldehyde, 98+%

CAS: 456-48-4 Molecular Formula: C₇H₅FO Molecular Weight (g/mol): 124.11 MDL Number: MFCD00003348 InChI Key: PIKNVEVCWAAOMJ-UHFFFAOYSA-N Synonym: m-fluorobenzaldehyde,benzaldehyde, 3-fluoro,3'-fluoro-benzaldehyde,3-fluoro-benzaldehyde,meta-fluorobenzaldehyde,benzaldehyde, m-fluoro,3-fc6h4cho,3-fluorobenzaldehyde,3-fluoro benzaldehyde,pubchem3477 PubChem CID: 68009 IUPAC Name: 3-fluorobenzaldehyde SMILES: C1=CC(=CC(=C1)F)C=O

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Specifications

PubChem CID	68009
CAS	456-48-4
Molecular Weight (g/mol)	124.11
MDL Number	MFCD00003348
SMILES	C1=CC(=CC(=C1)F)C=O
Synonym	m-fluorobenzaldehyde,benzaldehyde, 3-fluoro,3'-fluoro-benzaldehyde,3-fluoro-benzaldehyde,meta-fluorobenzaldehyde,benzaldehyde, m-fluoro,3-fc6h4cho,3-fluorobenzaldehyde,3-fluoro benzaldehyde,pubchem3477
IUPAC Name	3-fluorobenzaldehyde
InChI Key	PIKNVEVCWAAOMJ-UHFFFAOYSA-N
Molecular Formula	C₇H₅FO

1,118

3-Aminophthalic acid hydrochloride dihydrate, 96%

CAS: 1852533-96-0 Molecular Formula: C8H8ClNO4 Molecular Weight (g/mol): 217.605 MDL Number: MFCD00150282 InChI Key: ZBZAVEORKXFUQB-UHFFFAOYSA-N Synonym: 3-aminophthalic acid hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride 1:1,phthalic acid, hydrochloride,1, 3-amino-, hydrochloride,3-aminobenzene-1,2-dicarboxylic acid hydrochloride,3-amino phthalic acid hydrochloride,phthalic acid, 3-amino-, hydrochloride,acmc-1b7k3,ghl.pd_mitscher_leg0.1315 PubChem CID: 81375 IUPAC Name: 3-aminophthalic acid;hydrochloride SMILES: C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl

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Specifications

PubChem CID	81375
CAS	1852533-96-0
Molecular Weight (g/mol)	217.605
MDL Number	MFCD00150282
SMILES	C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.Cl
Synonym	3-aminophthalic acid hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride,1,2-benzenedicarboxylic acid, 3-amino-, hydrochloride 1:1,phthalic acid, hydrochloride,1, 3-amino-, hydrochloride,3-aminobenzene-1,2-dicarboxylic acid hydrochloride,3-amino phthalic acid hydrochloride,phthalic acid, 3-amino-, hydrochloride,acmc-1b7k3,ghl.pd_mitscher_leg0.1315
IUPAC Name	3-aminophthalic acid;hydrochloride
InChI Key	ZBZAVEORKXFUQB-UHFFFAOYSA-N
Molecular Formula	C8H8ClNO4

1,119

2-Amino-5-methylbenzoic acid, 97%

CAS: 2941-78-8 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007909 InChI Key: NBUUUJWWOARGNW-UHFFFAOYSA-N Synonym: 5-methylanthranilic acid,6-amino-m-toluic acid,2-amino-5-methyl-benzoic acid,benzoic acid, 2-amino-5-methyl,m-toluic acid, 6-amino,2-amino-5-methylbenzoicacid,unii-418xaj22v2,2-amino-5-methyl benzoic acid,amino 2--5-methylbenzoic acid,pubchem4954 PubChem CID: 76255 IUPAC Name: 2-amino-5-methylbenzoic acid SMILES: CC1=CC=C(N)C(=C1)C(O)=O

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Specifications

PubChem CID	76255
CAS	2941-78-8
Molecular Weight (g/mol)	151.17
MDL Number	MFCD00007909
SMILES	CC1=CC=C(N)C(=C1)C(O)=O
Synonym	5-methylanthranilic acid,6-amino-m-toluic acid,2-amino-5-methyl-benzoic acid,benzoic acid, 2-amino-5-methyl,m-toluic acid, 6-amino,2-amino-5-methylbenzoicacid,unii-418xaj22v2,2-amino-5-methyl benzoic acid,amino 2--5-methylbenzoic acid,pubchem4954
IUPAC Name	2-amino-5-methylbenzoic acid
InChI Key	NBUUUJWWOARGNW-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

1,120

5-(4-Bromophenyl)isoxazole, 98%, Thermo Scientific Chemicals

CAS: 7064-31-5 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD02183532 InChI Key: AVMMSHZGFRWLRI-UHFFFAOYSA-N Synonym: 5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh PubChem CID: 2735608 IUPAC Name: 5-(4-bromophenyl)-1,2-oxazole SMILES: C1=CC(=CC=C1C2=CC=NO2)Br

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Specifications

PubChem CID	2735608
CAS	7064-31-5
Molecular Weight (g/mol)	224.057
MDL Number	MFCD02183532
SMILES	C1=CC(=CC=C1C2=CC=NO2)Br
Synonym	5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh
IUPAC Name	5-(4-bromophenyl)-1,2-oxazole
InChI Key	AVMMSHZGFRWLRI-UHFFFAOYSA-N
Molecular Formula	C9H6BrNO

1,121

1-Bromo-4-n-heptylbenzene, 97%, Thermo Scientific Chemicals

CAS: 76287-49-5 Molecular Formula: C13H19Br Molecular Weight (g/mol): 255.199 MDL Number: MFCD00061115 InChI Key: YHKMTIJHJWYYAG-UHFFFAOYSA-N Synonym: 1-bromo-4-n-heptylbenzene,1-4-bromophenyl heptane,4-heptylbromobenzene,benzene, 1-bromo-4-heptyl,4-bromo-1-heptylbenzene,1-bromo-4-heptyl-benzene,acmc-209p2u,1-bromanyl-4-heptyl-benzene,ksc912e9b PubChem CID: 2775100 IUPAC Name: 1-bromo-4-heptylbenzene SMILES: CCCCCCCC1=CC=C(C=C1)Br

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Specifications

PubChem CID	2775100
CAS	76287-49-5
Molecular Weight (g/mol)	255.199
MDL Number	MFCD00061115
SMILES	CCCCCCCC1=CC=C(C=C1)Br
Synonym	1-bromo-4-n-heptylbenzene,1-4-bromophenyl heptane,4-heptylbromobenzene,benzene, 1-bromo-4-heptyl,4-bromo-1-heptylbenzene,1-bromo-4-heptyl-benzene,acmc-209p2u,1-bromanyl-4-heptyl-benzene,ksc912e9b
IUPAC Name	1-bromo-4-heptylbenzene
InChI Key	YHKMTIJHJWYYAG-UHFFFAOYSA-N
Molecular Formula	C13H19Br

1,122

3-(3-Bromophenyl)-1-methyl-1H-pyrazole, 97%, Thermo Scientific™

CAS: 425379-68-6 Molecular Formula: C10H9BrN2 Molecular Weight (g/mol): 237.10 MDL Number: MFCD09065008 InChI Key: PNVHBUUFMMMKBR-UHFFFAOYSA-N Synonym: 3-3-bromophenyl-1-methyl-1h-pyrazole,3-3-bromophenyl-1-methylpyrazole,1h-pyrazole,3-3-bromophenyl-1-methyl PubChem CID: 22329555 IUPAC Name: 3-(3-bromophenyl)-1-methylpyrazole SMILES: CN1C=CC(=N1)C1=CC(Br)=CC=C1

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Specifications

PubChem CID	22329555
CAS	425379-68-6
Molecular Weight (g/mol)	237.10
MDL Number	MFCD09065008
SMILES	CN1C=CC(=N1)C1=CC(Br)=CC=C1
Synonym	3-3-bromophenyl-1-methyl-1h-pyrazole,3-3-bromophenyl-1-methylpyrazole,1h-pyrazole,3-3-bromophenyl-1-methyl
IUPAC Name	3-(3-bromophenyl)-1-methylpyrazole
InChI Key	PNVHBUUFMMMKBR-UHFFFAOYSA-N
Molecular Formula	C10H9BrN2

1,123

3-Bromo-4-fluorobenzonitrile, 98%

CAS: 79630-23-2 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00055432 InChI Key: JKCYKISVUIVZCS-UHFFFAOYSA-N Synonym: 5-cyano-2-fluorobromobenzene,benzonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorobenzenecarbonitrile,4-fluoro-3-bromobenzonitrile,3-bromo-4-fluoro-benzonitrile,pubchem1580,3-bromo-4-flurobenzonitrile,acmc-1bh34,3-bromo,4-fluorobenzonitrile,ksc494e4j PubChem CID: 123579 IUPAC Name: 3-bromo-4-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)Br)F

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Specifications

PubChem CID	123579
CAS	79630-23-2
Molecular Weight (g/mol)	200.01
MDL Number	MFCD00055432
SMILES	C1=CC(=C(C=C1C#N)Br)F
Synonym	5-cyano-2-fluorobromobenzene,benzonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorobenzenecarbonitrile,4-fluoro-3-bromobenzonitrile,3-bromo-4-fluoro-benzonitrile,pubchem1580,3-bromo-4-flurobenzonitrile,acmc-1bh34,3-bromo,4-fluorobenzonitrile,ksc494e4j
IUPAC Name	3-bromo-4-fluorobenzonitrile
InChI Key	JKCYKISVUIVZCS-UHFFFAOYSA-N
Molecular Formula	C7H3BrFN

1,124

3,3',5-Triiodo-L-thyronine, 95%, Thermo Scientific Chemicals

CAS: 6893-02-3 Molecular Formula: C₁₅H₁₂I₃NO₄ Molecular Weight (g/mol): 650.97 InChI Key: AUYYCJSJGJYCDS-UHFFFAOYNA-N

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Specifications

CAS	6893-02-3
Molecular Weight (g/mol)	650.97
InChI Key	AUYYCJSJGJYCDS-UHFFFAOYNA-N
Molecular Formula	C₁₅H₁₂I₃NO₄

1,125

o-Tolidine, Powder, Reagent, Spectrum™ Chemical

CAS: 119-93-7 Molecular Formula: C14H16N2 Molecular Weight (g/mol): 212.30 InChI Key: NUIURNJTPRWVAP-UHFFFAOYSA-N IUPAC Name: 3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine SMILES: CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1

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Specifications

CAS	119-93-7
Molecular Weight (g/mol)	212.30
SMILES	CC1=CC(=CC=C1N)C1=CC=C(N)C(C)=C1
IUPAC Name	3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine
InChI Key	NUIURNJTPRWVAP-UHFFFAOYSA-N
Molecular Formula	C14H16N2

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Benzene and substituted derivatives

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m-Anisaldehyde, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

o-Tolidine, Powder, Reagent, Spectrum™ Chemical Small and Specialty Supplier PartnerSmall and/or specialty supplier based on Federal laws and SBA requirements.Learn More

m-Anisaldehyde, Spectrum™ Chemical

o-Tolidine, Powder, Reagent, Spectrum™ Chemical