Benzenoids

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1,876 – 1,890 of 158,051 results

1,876

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2-Cyanobenzoic acid, 94%

CAS: 3839-22-3 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00045796 InChI Key: DTNSDCJFTHMDAK-UHFFFAOYSA-N Synonym: o-cyanobenzoic acid,cyanobenzoic acid,benzoic acid, 2-cyano,2-carboxybenzonitrile,2-carboxy-benzonitrile,2-cyanobenzoicacid,2-cyano-benzoic acid,pubchem12513,acmc-1bn2v PubChem CID: 138061 IUPAC Name: 2-cyanobenzoic acid SMILES: C1=CC=C(C(=C1)C#N)C(=O)O

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PubChem CID	138061
CAS	3839-22-3
Molecular Weight (g/mol)	147.133
MDL Number	MFCD00045796
SMILES	C1=CC=C(C(=C1)C#N)C(=O)O
Synonym	o-cyanobenzoic acid,cyanobenzoic acid,benzoic acid, 2-cyano,2-carboxybenzonitrile,2-carboxy-benzonitrile,2-cyanobenzoicacid,2-cyano-benzoic acid,pubchem12513,acmc-1bn2v
IUPAC Name	2-cyanobenzoic acid
InChI Key	DTNSDCJFTHMDAK-UHFFFAOYSA-N
Molecular Formula	C8H5NO2

1,877

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

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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

1,878

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Ethyl phenylglyoxylate, 98%

CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1

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PubChem CID	15349
CAS	1603-79-8
Molecular Weight (g/mol)	178.19
ChEBI	CHEBI:84260
MDL Number	MFCD00009120
SMILES	CCOC(=O)C(=O)C1=CC=CC=C1
Synonym	ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester
IUPAC Name	ethyl 2-oxo-2-phenylacetate
InChI Key	QKLCQKPAECHXCQ-UHFFFAOYSA-N
Molecular Formula	C10H10O3

1,879

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4-Iodobenzaldehyde, 97+%

CAS: 15164-44-0 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039576 InChI Key: NIEBHDXUIJSHSL-UHFFFAOYSA-N Synonym: p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r PubChem CID: 96657 IUPAC Name: 4-iodobenzaldehyde SMILES: IC1=CC=C(C=O)C=C1

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PubChem CID	96657
CAS	15164-44-0
Molecular Weight (g/mol)	232.02
MDL Number	MFCD00039576
SMILES	IC1=CC=C(C=O)C=C1
Synonym	p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r
IUPAC Name	4-iodobenzaldehyde
InChI Key	NIEBHDXUIJSHSL-UHFFFAOYSA-N
Molecular Formula	C7H5IO

1,880

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5-Cyano-2-methoxybenzaldehyde, 97%

CAS: 21962-53-8 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD13195275 InChI Key: HJDXZGCTGAWUFZ-UHFFFAOYSA-N Synonym: 5-cyano-2-methoxybenzaldehyde,3-formyl-4-methoxy-benzonitrile,3-cyano6-methoxybenzaldehyde,5-cyano-2-methoxy benzaldehyde PubChem CID: 10241098 IUPAC Name: 3-formyl-4-methoxybenzonitrile SMILES: COC1=C(C=C(C=C1)C#N)C=O

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PubChem CID	10241098
CAS	21962-53-8
Molecular Weight (g/mol)	161.16
MDL Number	MFCD13195275
SMILES	COC1=C(C=C(C=C1)C#N)C=O
Synonym	5-cyano-2-methoxybenzaldehyde,3-formyl-4-methoxy-benzonitrile,3-cyano6-methoxybenzaldehyde,5-cyano-2-methoxy benzaldehyde
IUPAC Name	3-formyl-4-methoxybenzonitrile
InChI Key	HJDXZGCTGAWUFZ-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

1,881

4-(1H-pyrazol-1-ylmethyl)benzaldehyde, Thermo Scientific™

CAS: 887922-90-9 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.21 MDL Number: MFCD08059835 InChI Key: FAURNROAEFQBHX-UHFFFAOYSA-N Synonym: 4-1h-pyrazol-1-ylmethyl benzaldehyde,4-pyrazol-1-ylmethyl-benzaldehyde,4-1h-pyrazol-1-yl methyl benzaldehyde,4-pyrazol-1-ylmethyl benzaldehyde,4-pyrazolylmethyl benzaldehyde,4-1h-pyrazol-1-ylmethyl-benzaldehyde,benzaldehyde,4-1h-pyrazol-1-ylmethyl PubChem CID: 18525876 IUPAC Name: 4-(pyrazol-1-ylmethyl)benzaldehyde SMILES: O=CC1=CC=C(CN2C=CC=N2)C=C1

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PubChem CID	18525876
CAS	887922-90-9
Molecular Weight (g/mol)	186.21
MDL Number	MFCD08059835
SMILES	O=CC1=CC=C(CN2C=CC=N2)C=C1
Synonym	4-1h-pyrazol-1-ylmethyl benzaldehyde,4-pyrazol-1-ylmethyl-benzaldehyde,4-1h-pyrazol-1-yl methyl benzaldehyde,4-pyrazol-1-ylmethyl benzaldehyde,4-pyrazolylmethyl benzaldehyde,4-1h-pyrazol-1-ylmethyl-benzaldehyde,benzaldehyde,4-1h-pyrazol-1-ylmethyl
IUPAC Name	4-(pyrazol-1-ylmethyl)benzaldehyde
InChI Key	FAURNROAEFQBHX-UHFFFAOYSA-N
Molecular Formula	C11H10N2O

1,882

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4-Ethylbenzoic acid, 99%

CAS: 619-64-7 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O

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PubChem CID	12086
CAS	619-64-7
Molecular Weight (g/mol)	150.177
MDL Number	MFCD00002570
SMILES	CCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid;
IUPAC Name	4-ethylbenzoic acid
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Molecular Formula	C9H10O2

1,883

Rosin, Gum, MP Biomedicals™

CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

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CAS	8050-09-7
Molecular Weight (g/mol)	302.46
MDL Number	MFCD00132205
Synonym	4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
InChI Key	RSWGJHLUYNHPMX-UHFFFAOYNA-N
Molecular Formula	C20H30O2

1,884

Fullerene powder, mixed refined, typically 70% C{60}, 28% C{70}, higher 2%

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

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PubChem CID	123591
CAS	99685-96-8
Molecular Weight (g/mol)	720.66
ChEBI	CHEBI:33128
MDL Number	MFCD00282904
SMILES	C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym	fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name	(C\{60}-I\{h})[5,6]fullerene
InChI Key	XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula	C60

1,885

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9,10-Phenanthrenequinone, 95%

CAS: 84-11-7 Molecular Formula: C14H8O2 Molecular Weight (g/mol): 208.216 MDL Number: MFCD00001163 InChI Key: YYVYAPXYZVYDHN-UHFFFAOYSA-N Synonym: 9,10-phenanthrenequinone,phenanthrenequinone,9,10-phenanthrenedione,9,10-phenanthraquinone,phenanthraquinone,9,10-phenanthroquinone,9-10 phenanthrene quinone,unii-42l7bz8h74,ccris 7615,phenanthrene, 9,10-dihydro-9,10-dioxo PubChem CID: 6763 ChEBI: CHEBI:37454 IUPAC Name: phenanthrene-9,10-dione SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O

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PubChem CID	6763
CAS	84-11-7
Molecular Weight (g/mol)	208.216
ChEBI	CHEBI:37454
MDL Number	MFCD00001163
SMILES	C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O
Synonym	9,10-phenanthrenequinone,phenanthrenequinone,9,10-phenanthrenedione,9,10-phenanthraquinone,phenanthraquinone,9,10-phenanthroquinone,9-10 phenanthrene quinone,unii-42l7bz8h74,ccris 7615,phenanthrene, 9,10-dihydro-9,10-dioxo
IUPAC Name	phenanthrene-9,10-dione
InChI Key	YYVYAPXYZVYDHN-UHFFFAOYSA-N
Molecular Formula	C14H8O2

1,886

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Triphenylene, 98%

CAS: 217-59-4 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00001108 InChI Key: SLGBZMMZGDRARJ-UHFFFAOYSA-N Synonym: 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl PubChem CID: 9170 ChEBI: CHEBI:33080 IUPAC Name: triphenylene SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21

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PubChem CID	9170
CAS	217-59-4
Molecular Weight (g/mol)	228.29
ChEBI	CHEBI:33080
MDL Number	MFCD00001108
SMILES	C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
Synonym	9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl
IUPAC Name	triphenylene
InChI Key	SLGBZMMZGDRARJ-UHFFFAOYSA-N
Molecular Formula	C18H12

1,887

4-Butyl-2-methylaniline, Tech., Thermo Scientific™

CAS: 72072-16-3 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00190660 InChI Key: JTXOXRXZCAMPHL-UHFFFAOYSA-N PubChem CID: 577772 IUPAC Name: 4-butyl-2-methylaniline SMILES: CCCCC1=CC(=C(C=C1)N)C

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PubChem CID	577772
CAS	72072-16-3
Molecular Weight (g/mol)	163.264
MDL Number	MFCD00190660
SMILES	CCCCC1=CC(=C(C=C1)N)C
IUPAC Name	4-butyl-2-methylaniline
InChI Key	JTXOXRXZCAMPHL-UHFFFAOYSA-N
Molecular Formula	C11H17N

1,888

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3-Amino-4-methylbiphenyl, 98%

CAS: 80938-67-6 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.25 MDL Number: MFCD00270126 InChI Key: YLKSTPDTTKOSIL-UHFFFAOYSA-N Synonym: 5-phenyl-o-toluidine,3-amino-4-methylbiphenyl,4-methyl-1,1'-biphenyl-3-amine,2-methyl-5-phenylphenylamine,1,1'-biphenyl-3-amine, 4-methyl,4-methylbiphenyl-3-amine,2-methyl-5-phenyl-aniline PubChem CID: 149880 IUPAC Name: 2-methyl-5-phenylaniline SMILES: CC1=CC=C(C=C1N)C1=CC=CC=C1

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PubChem CID	149880
CAS	80938-67-6
Molecular Weight (g/mol)	183.25
MDL Number	MFCD00270126
SMILES	CC1=CC=C(C=C1N)C1=CC=CC=C1
Synonym	5-phenyl-o-toluidine,3-amino-4-methylbiphenyl,4-methyl-1,1'-biphenyl-3-amine,2-methyl-5-phenylphenylamine,1,1'-biphenyl-3-amine, 4-methyl,4-methylbiphenyl-3-amine,2-methyl-5-phenyl-aniline
IUPAC Name	2-methyl-5-phenylaniline
InChI Key	YLKSTPDTTKOSIL-UHFFFAOYSA-N
Molecular Formula	C13H13N

1,889

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3-Fluoro-2-methylaniline, 98+%

CAS: 443-86-7 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00007760 InChI Key: SLDLVGFPFFLYBM-UHFFFAOYSA-N Synonym: 3-fluoro-o-toluidine,2-fluoro-6-aminotoluene,2-amino-6-fluorotoluene,6-amino-2-fluorotoluene,3-fluoro-2-methyl-aniline,benzenamine, 3-fluoro-2-methyl,3-fluoro-2-methylphenylamine,2-methyl-3-fluoroaniline,hydrochloride,3-fluor-2-methylanilin PubChem CID: 285553 IUPAC Name: 3-fluoro-2-methylaniline SMILES: CC1=C(N)C=CC=C1F

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PubChem CID	285553
CAS	443-86-7
Molecular Weight (g/mol)	125.15
MDL Number	MFCD00007760
SMILES	CC1=C(N)C=CC=C1F
Synonym	3-fluoro-o-toluidine,2-fluoro-6-aminotoluene,2-amino-6-fluorotoluene,6-amino-2-fluorotoluene,3-fluoro-2-methyl-aniline,benzenamine, 3-fluoro-2-methyl,3-fluoro-2-methylphenylamine,2-methyl-3-fluoroaniline,hydrochloride,3-fluor-2-methylanilin
IUPAC Name	3-fluoro-2-methylaniline
InChI Key	SLDLVGFPFFLYBM-UHFFFAOYSA-N
Molecular Formula	C7H8FN

1,890

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2-Amino-5-methylbenzenesulfonic acid, 99%

CAS: 88-44-8 Molecular Formula: C7H9NO3S Molecular Weight (g/mol): 187.21 MDL Number: MFCD00007908 InChI Key: LTPSRQRIPCVMKQ-UHFFFAOYSA-N Synonym: 4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino PubChem CID: 6934 IUPAC Name: 2-amino-5-methylbenzenesulfonic acid SMILES: CC1=CC=C(N)C(=C1)S(O)(=O)=O

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PubChem CID	6934
CAS	88-44-8
Molecular Weight (g/mol)	187.21
MDL Number	MFCD00007908
SMILES	CC1=CC=C(N)C(=C1)S(O)(=O)=O
Synonym	4-aminotoluene-3-sulfonic acid,ptmsptmsa,ptms,ptmsa,benzenesulfonic acid, 2-amino-5-methyl,6-amino-m-toluenesulfonic acid,red 4b acid,p-toluidine-2-sulfonic acid,p-toluidine-m-sulfonic acid,m-toluenesulfonic acid, 6-amino
IUPAC Name	2-amino-5-methylbenzenesulfonic acid
InChI Key	LTPSRQRIPCVMKQ-UHFFFAOYSA-N
Molecular Formula	C7H9NO3S

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