Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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6,256 – 6,270 of 158,371 results

6,256

2-Methoxy-4-nitrobenzaldehyde 98.0+%, TCI America™

CAS: 136507-15-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD02683052 InChI Key: LEBUUZXTHMCZQZ-UHFFFAOYSA-N PubChem CID: 2759599 IUPAC Name: 2-methoxy-4-nitrobenzaldehyde SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C=O

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Specifications

PubChem CID	2759599
CAS	136507-15-8
Molecular Weight (g/mol)	181.147
MDL Number	MFCD02683052
SMILES	COC1=C(C=CC(=C1)[N+](=O)[O-])C=O
IUPAC Name	2-methoxy-4-nitrobenzaldehyde
InChI Key	LEBUUZXTHMCZQZ-UHFFFAOYSA-N
Molecular Formula	C8H7NO4

6,257

N-Methyl-4-(trifluoromethyl)aniline 98.0+%, TCI America™

CAS: 22864-65-9 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD07369717 InChI Key: UTUYWZJPVLDHJJ-UHFFFAOYSA-N PubChem CID: 15099755 IUPAC Name: N-methyl-4-(trifluoromethyl)aniline SMILES: CNC1=CC=C(C=C1)C(F)(F)F

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Specifications

PubChem CID	15099755
CAS	22864-65-9
Molecular Weight (g/mol)	175.154
MDL Number	MFCD07369717
SMILES	CNC1=CC=C(C=C1)C(F)(F)F
IUPAC Name	N-methyl-4-(trifluoromethyl)aniline
InChI Key	UTUYWZJPVLDHJJ-UHFFFAOYSA-N
Molecular Formula	C8H8F3N

6,258

Octafluorotoluene 98.0+%, TCI America™

CAS: 434-64-0 Molecular Formula: C7F8 Molecular Weight (g/mol): 236.06 MDL Number: MFCD00000375 InChI Key: USPWUOFNOTUBAD-UHFFFAOYSA-N Synonym: octafluorotoluene,perfluorotoluene,1,2,3,4,5-pentafluoro-6-trifluoromethyl benzene,toluene, octafluoro,benzene, pentafluoro trifluoromethyl,trifluoromethyl pentafluorobenzene,pentafluorobenzotrifluoride,1,2,3,4,5-pentafluoro-6-trifluoromethyl-benzene,benzene, 1,2,3,4,5-pentafluoro-6-trifluoromethyl,acmc-209juh PubChem CID: 9906 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene SMILES: FC1=C(F)C(F)=C(C(F)=C1F)C(F)(F)F

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Specifications

PubChem CID	9906
CAS	434-64-0
Molecular Weight (g/mol)	236.06
MDL Number	MFCD00000375
SMILES	FC1=C(F)C(F)=C(C(F)=C1F)C(F)(F)F
Synonym	octafluorotoluene,perfluorotoluene,1,2,3,4,5-pentafluoro-6-trifluoromethyl benzene,toluene, octafluoro,benzene, pentafluoro trifluoromethyl,trifluoromethyl pentafluorobenzene,pentafluorobenzotrifluoride,1,2,3,4,5-pentafluoro-6-trifluoromethyl-benzene,benzene, 1,2,3,4,5-pentafluoro-6-trifluoromethyl,acmc-209juh
IUPAC Name	1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
InChI Key	USPWUOFNOTUBAD-UHFFFAOYSA-N
Molecular Formula	C7F8

6,259

(S)-(-)-N-(alpha-Methylbenzyl)phthalamic Acid 98.0+%, TCI America™

CAS: 21752-36-3 Molecular Formula: C16H15NO3 Molecular Weight (g/mol): 269.3 MDL Number: MFCD00013979 InChI Key: VCFKXWGKKDZMPO-NSHDSACASA-N Synonym: s-2-1-phenylethyl carbamoyl benzoic acid,s---n-alpha-methylbenzyl phthalamic acid,s---n-1-phenylethyl phthalamic acid,2-1s-1-phenylethyl carbamoyl benzoic acid,s-o-1-phenylethyl amino carbonyl benzoic acid,benzoic acid,2-1s-1-phenylethyl amino carbonyl,s---n-alpha-methylbenzyl phthalamicacid,s---n-,a-methylbenzyl phthalamic acid,s---n-a-methylbenzyl phthalamidic acid PubChem CID: 89037 IUPAC Name: 2-[[(1S)-1-phenylethyl]carbamoyl]benzoic acid SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O

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Specifications

PubChem CID	89037
CAS	21752-36-3
Molecular Weight (g/mol)	269.3
MDL Number	MFCD00013979
SMILES	CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(=O)O
Synonym	s-2-1-phenylethyl carbamoyl benzoic acid,s---n-alpha-methylbenzyl phthalamic acid,s---n-1-phenylethyl phthalamic acid,2-1s-1-phenylethyl carbamoyl benzoic acid,s-o-1-phenylethyl amino carbonyl benzoic acid,benzoic acid,2-1s-1-phenylethyl amino carbonyl,s---n-alpha-methylbenzyl phthalamicacid,s---n-,a-methylbenzyl phthalamic acid,s---n-a-methylbenzyl phthalamidic acid
IUPAC Name	2-[[(1S)-1-phenylethyl]carbamoyl]benzoic acid
InChI Key	VCFKXWGKKDZMPO-NSHDSACASA-N
Molecular Formula	C16H15NO3

6,260

4-Bromo-2-fluorophenol 98.0+%, TCI America™

CAS: 2105-94-4 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 191.00 MDL Number: MFCD00011722 InChI Key: RYVOZMPTISNBDB-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromophenol,4-bromo-2-fluoro-phenol,phenol, 4-bromo-2-fluoro,4-bromo-2-fluoro phenol,pubchem1488,p-bromo-o-fluorophenol,2-fluoro-4-bromo phenol,acmc-209fh4,ksc204a3n,3-fluoro-4-hydroxy-bromobenzene PubChem CID: 2724981 IUPAC Name: 4-bromo-2-fluorophenol SMILES: OC1=CC=C(Br)C=C1F

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Specifications

PubChem CID	2724981
CAS	2105-94-4
Molecular Weight (g/mol)	191.00
MDL Number	MFCD00011722
SMILES	OC1=CC=C(Br)C=C1F
Synonym	2-fluoro-4-bromophenol,4-bromo-2-fluoro-phenol,phenol, 4-bromo-2-fluoro,4-bromo-2-fluoro phenol,pubchem1488,p-bromo-o-fluorophenol,2-fluoro-4-bromo phenol,acmc-209fh4,ksc204a3n,3-fluoro-4-hydroxy-bromobenzene
IUPAC Name	4-bromo-2-fluorophenol
InChI Key	RYVOZMPTISNBDB-UHFFFAOYSA-N
Molecular Formula	C6H4BrFO

6,261

alpha-Bromo-p-xylene 98.0+%, TCI America™

CAS: 104-81-4 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00000181 InChI Key: WZRKSPFYXUXINF-UHFFFAOYSA-N Synonym: 4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene PubChem CID: 7721 IUPAC Name: 1-(bromomethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CBr

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Specifications

PubChem CID	7721
CAS	104-81-4
Molecular Weight (g/mol)	185.064
MDL Number	MFCD00000181
SMILES	CC1=CC=C(C=C1)CBr
Synonym	4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene
IUPAC Name	1-(bromomethyl)-4-methylbenzene
InChI Key	WZRKSPFYXUXINF-UHFFFAOYSA-N
Molecular Formula	C8H9Br

6,262

1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene 98.0+%, TCI America™

CAS: 21988-87-4 Molecular Formula: C12H15Br3 Molecular Weight (g/mol): 398.964 MDL Number: MFCD00192554 InChI Key: BHIFXIATEXVOQA-UHFFFAOYSA-N Synonym: 2,4,6-Tris(bromomethyl)mesitylene PubChem CID: 89140 IUPAC Name: 1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene SMILES: CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr

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Specifications

PubChem CID	89140
CAS	21988-87-4
Molecular Weight (g/mol)	398.964
MDL Number	MFCD00192554
SMILES	CC1=C(C(=C(C(=C1CBr)C)CBr)C)CBr
Synonym	2,4,6-Tris(bromomethyl)mesitylene
IUPAC Name	1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
InChI Key	BHIFXIATEXVOQA-UHFFFAOYSA-N
Molecular Formula	C12H15Br3

6,263

1-Naphthohydroxamic Acid 98.0+%, TCI America™

CAS: 6953-61-3 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00059546 InChI Key: JRZGPWOEHDOVMC-UHFFFAOYSA-N Synonym: N-Hydroxynaphthalene-1-carboxamide PubChem CID: 23382 IUPAC Name: N-hydroxynaphthalene-1-carboxamide SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NO

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Specifications

PubChem CID	23382
CAS	6953-61-3
Molecular Weight (g/mol)	187.198
MDL Number	MFCD00059546
SMILES	C1=CC=C2C(=C1)C=CC=C2C(=O)NO
Synonym	N-Hydroxynaphthalene-1-carboxamide
IUPAC Name	N-hydroxynaphthalene-1-carboxamide
InChI Key	JRZGPWOEHDOVMC-UHFFFAOYSA-N
Molecular Formula	C11H9NO2

6,264

1-Acetyl-2-phenylhydrazine 98.0+%, TCI America™

CAS: 114-83-0 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00008672 InChI Key: UICBCXONCUFSOI-UHFFFAOYSA-N Synonym: 1-acetyl-2-phenylhydrazine,hydracetin,acetylphenylhydrazine,pyrodin,pyrodine,acetic acid, 2-phenylhydrazide,n-acetyl-n'-phenylhydrazine,n'-phenylacethydrazide,acetic acid phenylhydrazone,n 1-acetylphenylhydrazine PubChem CID: 8247 IUPAC Name: N'-phenylacetohydrazide SMILES: CC(=O)NNC1=CC=CC=C1

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Specifications

PubChem CID	8247
CAS	114-83-0
Molecular Weight (g/mol)	150.181
MDL Number	MFCD00008672
SMILES	CC(=O)NNC1=CC=CC=C1
Synonym	1-acetyl-2-phenylhydrazine,hydracetin,acetylphenylhydrazine,pyrodin,pyrodine,acetic acid, 2-phenylhydrazide,n-acetyl-n'-phenylhydrazine,n'-phenylacethydrazide,acetic acid phenylhydrazone,n 1-acetylphenylhydrazine
IUPAC Name	N'-phenylacetohydrazide
InChI Key	UICBCXONCUFSOI-UHFFFAOYSA-N
Molecular Formula	C8H10N2O

6,265

N'-Isopropylidene-2-nitrobenzenesulfonohydrazide 98.0+%, TCI America™

CAS: 6655-27-2 Molecular Formula: C9H11N3O4S Molecular Weight (g/mol): 257.264 MDL Number: MFCD09800525 InChI Key: SBNYNTYNEJTMQO-UHFFFAOYSA-N Synonym: IPNBSH PubChem CID: 11974266 SMILES: CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C

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Specifications

PubChem CID	11974266
CAS	6655-27-2
Molecular Weight (g/mol)	257.264
MDL Number	MFCD09800525
SMILES	CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
Synonym	IPNBSH
InChI Key	SBNYNTYNEJTMQO-UHFFFAOYSA-N
Molecular Formula	C9H11N3O4S

6,266

2-Hydroxybenzaldehyde Phenylhydrazone 98.0+%, TCI America™

CAS: 614-65-3 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.25 MDL Number: MFCD00136159 InChI Key: AWSLIWUMMSIZFW-ZHACJKMWSA-N Synonym: Salicylaldehyde Phenylhydrazone PubChem CID: 10813780 IUPAC Name: (6E)-6-[(2-phenylhydrazin-1-yl)methylidene]cyclohexa-2,4-dien-1-one SMILES: O=C1C=CC=C\C1=C/NNC1=CC=CC=C1

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Specifications

PubChem CID	10813780
CAS	614-65-3
Molecular Weight (g/mol)	212.25
MDL Number	MFCD00136159
SMILES	O=C1C=CC=C\C1=C/NNC1=CC=CC=C1
Synonym	Salicylaldehyde Phenylhydrazone
IUPAC Name	(6E)-6-[(2-phenylhydrazin-1-yl)methylidene]cyclohexa-2,4-dien-1-one
InChI Key	AWSLIWUMMSIZFW-ZHACJKMWSA-N
Molecular Formula	C13H12N2O

6,267

4-Propylphenol 99.0+%, TCI America™

CAS: 645-56-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002395 InChI Key: KLSLBUSXWBJMEC-UHFFFAOYSA-N Synonym: 4-n-propylphenol,p-propylphenol,phenol, 4-propyl,dihydrochavicol,phenol, p-propyl,1-hydroxy-4-n-propylbenzene,p-n-propylphenol,4-propyl-phenol,p-hydroxypropylbenzene,hydroxypropylbenzene, p PubChem CID: 12580 ChEBI: CHEBI:34434 IUPAC Name: 4-propylphenol SMILES: CCCC1=CC=C(C=C1)O

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Specifications

PubChem CID	12580
CAS	645-56-7
Molecular Weight (g/mol)	136.194
ChEBI	CHEBI:34434
MDL Number	MFCD00002395
SMILES	CCCC1=CC=C(C=C1)O
Synonym	4-n-propylphenol,p-propylphenol,phenol, 4-propyl,dihydrochavicol,phenol, p-propyl,1-hydroxy-4-n-propylbenzene,p-n-propylphenol,4-propyl-phenol,p-hydroxypropylbenzene,hydroxypropylbenzene, p
IUPAC Name	4-propylphenol
InChI Key	KLSLBUSXWBJMEC-UHFFFAOYSA-N
Molecular Formula	C9H12O

6,268

9,10-Bis(phenylethynyl)anthracene 98.0+%, TCI America™

CAS: 10075-85-1 Molecular Formula: C30H18 Molecular Weight (g/mol): 378.474 MDL Number: MFCD00012050 InChI Key: ZHBOFZNNPZNWGB-UHFFFAOYSA-N Synonym: 9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene PubChem CID: 82338 ChEBI: CHEBI:51675 IUPAC Name: 9,10-bis(2-phenylethynyl)anthracene SMILES: C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5

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Specifications

PubChem CID	82338
CAS	10075-85-1
Molecular Weight (g/mol)	378.474
ChEBI	CHEBI:51675
MDL Number	MFCD00012050
SMILES	C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
Synonym	9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene
IUPAC Name	9,10-bis(2-phenylethynyl)anthracene
InChI Key	ZHBOFZNNPZNWGB-UHFFFAOYSA-N
Molecular Formula	C30H18

6,269

4-(Trifluoromethyl)benzoic Acid 98.0+%, TCI America™

CAS: 455-24-3 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.121 MDL Number: MFCD00002562 InChI Key: SWKPKONEIZGROQ-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride PubChem CID: 9966 ChEBI: CHEBI:60696 IUPAC Name: 4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)C(F)(F)F

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PubChem CID	9966
CAS	455-24-3
Molecular Weight (g/mol)	190.121
ChEBI	CHEBI:60696
MDL Number	MFCD00002562
SMILES	C1=CC(=CC=C1C(=O)O)C(F)(F)F
Synonym	4-trifluoromethyl benzoic acid,p-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-p-toluic acid,benzoic acid, 4-trifluoromethyl,p-carboxybenzotrifluoride,4-trifluoromethyl-benzoic acid,a,a,a-trifluoro-p-toluic acid,ptf-boa,4-carboxybenzotrifluoride
IUPAC Name	4-(trifluoromethyl)benzoic acid
InChI Key	SWKPKONEIZGROQ-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

6,270

5-Acetonyl-2-methoxybenzenesulfonamide 98.0+%, TCI America™

CAS: 116091-63-5 Molecular Formula: C10H13NO4S Molecular Weight (g/mol): 243.28 MDL Number: MFCD07782136 InChI Key: MQQJFLHZXQRKKJ-UHFFFAOYSA-N Synonym: 2-Methoxy-5-(2-oxopropyl)benzenesulfonamide PubChem CID: 14179759 IUPAC Name: 2-methoxy-5-(2-oxopropyl)benzene-1-sulfonamide SMILES: COC1=C(C=C(CC(C)=O)C=C1)S(N)(=O)=O

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Specifications

PubChem CID	14179759
CAS	116091-63-5
Molecular Weight (g/mol)	243.28
MDL Number	MFCD07782136
SMILES	COC1=C(C=C(CC(C)=O)C=C1)S(N)(=O)=O
Synonym	2-Methoxy-5-(2-oxopropyl)benzenesulfonamide
IUPAC Name	2-methoxy-5-(2-oxopropyl)benzene-1-sulfonamide
InChI Key	MQQJFLHZXQRKKJ-UHFFFAOYSA-N
Molecular Formula	C10H13NO4S

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