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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2,671 – 2,685 of 78,024 results

2,671

3,3',4',5-Tetrachlorosalicylanilide, 97%

CAS: 1154-59-2 Molecular Formula: C₁₃H₇Cl₄NO₂ Molecular Weight (g/mol): 351.01 MDL Number: MFCD00041745 InChI Key: SJQBHPJLLIJASD-UHFFFAOYSA-N Synonym: tcsa,3,3',4',5-tetrachlorosalicylanilide,3,5-dichloro-n-3,4-dichlorophenyl-2-hydroxybenzamide,3,5,3',4'-tetrachlorosalicylanilide,irgasan bs-200,3,5-dichlorosalicyl 3,4-dichloroanilide,caswell no. 833,3,5-dichlorosalicyl-3,4-dichloroanilide,benzamide, 3,5-dichloro-n-3,4-dichlorophenyl-2-hydroxy,unii-hne676755i PubChem CID: 14385 ChEBI: CHEBI:188648 IUPAC Name: 3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide SMILES: C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2O)Cl)Cl)Cl)Cl

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Specifications

PubChem CID	14385
CAS	1154-59-2
Molecular Weight (g/mol)	351.01
ChEBI	CHEBI:188648
MDL Number	MFCD00041745
SMILES	C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2O)Cl)Cl)Cl)Cl
Synonym	tcsa,3,3',4',5-tetrachlorosalicylanilide,3,5-dichloro-n-3,4-dichlorophenyl-2-hydroxybenzamide,3,5,3',4'-tetrachlorosalicylanilide,irgasan bs-200,3,5-dichlorosalicyl 3,4-dichloroanilide,caswell no. 833,3,5-dichlorosalicyl-3,4-dichloroanilide,benzamide, 3,5-dichloro-n-3,4-dichlorophenyl-2-hydroxy,unii-hne676755i
IUPAC Name	3,5-dichloro-N-(3,4-dichlorophenyl)-2-hydroxybenzamide
InChI Key	SJQBHPJLLIJASD-UHFFFAOYSA-N
Molecular Formula	C₁₃H₇Cl₄NO₂

2,672

4-Iodobenzoic acid, 97%

CAS: 619-58-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.02 MDL Number: MFCD00002533 InChI Key: GHICCUXQJBDNRN-UHFFFAOYSA-N Synonym: p-iodobenzoic acid,benzoic acid, 4-iodo,benzoic acid, p-iodo,4-iodo-benzoic acid,p-iodobenzenecarboxylic acid,4-jodbenzoesaeure,unii-ipo4lyq1en,4-jodbenzoesaeure german,4-iodo benzoic acid,ipo4lyq1en PubChem CID: 12085 IUPAC Name: 4-iodobenzoic acid SMILES: OC(=O)C1=CC=C(I)C=C1

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Specifications

PubChem CID	12085
CAS	619-58-9
Molecular Weight (g/mol)	248.02
MDL Number	MFCD00002533
SMILES	OC(=O)C1=CC=C(I)C=C1
Synonym	p-iodobenzoic acid,benzoic acid, 4-iodo,benzoic acid, p-iodo,4-iodo-benzoic acid,p-iodobenzenecarboxylic acid,4-jodbenzoesaeure,unii-ipo4lyq1en,4-jodbenzoesaeure german,4-iodo benzoic acid,ipo4lyq1en
IUPAC Name	4-iodobenzoic acid
InChI Key	GHICCUXQJBDNRN-UHFFFAOYSA-N
Molecular Formula	C7H5IO2

2,673

2-Bromobenzamide, 98%

CAS: 4001-73-4 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00007969 InChI Key: NHNAEZDWNCRWRW-UHFFFAOYSA-N Synonym: benzamide, 2-bromo,o-bromobenzamide,benzamide, o-bromo,2-bromo-benzamide,2-bromobenzamide,bromobenzamide,pubchem3733,maybridge1_005867,acmc-209j9x PubChem CID: 77616 IUPAC Name: 2-bromobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)Br

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Specifications

PubChem CID	77616
CAS	4001-73-4
Molecular Weight (g/mol)	200.035
MDL Number	MFCD00007969
SMILES	C1=CC=C(C(=C1)C(=O)N)Br
Synonym	benzamide, 2-bromo,o-bromobenzamide,benzamide, o-bromo,2-bromo-benzamide,2-bromobenzamide,bromobenzamide,pubchem3733,maybridge1_005867,acmc-209j9x
IUPAC Name	2-bromobenzamide
InChI Key	NHNAEZDWNCRWRW-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO

2,674

4-Bromo-2-fluorobenzamide, 96%

CAS: 292621-45-5 Molecular Formula: C7H5BrFNO Molecular Weight (g/mol): 218.025 MDL Number: MFCD03094432 InChI Key: MJDRFCPNHLHNON-UHFFFAOYSA-N Synonym: acmc-209h7t,4-bromo-2-fluoro-benzamide,benzamide,4-bromo-2-fluoro,benzamide, 4-bromo-2-fluoro PubChem CID: 2773331 IUPAC Name: 4-bromo-2-fluorobenzamide SMILES: C1=CC(=C(C=C1Br)F)C(=O)N

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Specifications

PubChem CID	2773331
CAS	292621-45-5
Molecular Weight (g/mol)	218.025
MDL Number	MFCD03094432
SMILES	C1=CC(=C(C=C1Br)F)C(=O)N
Synonym	acmc-209h7t,4-bromo-2-fluoro-benzamide,benzamide,4-bromo-2-fluoro,benzamide, 4-bromo-2-fluoro
IUPAC Name	4-bromo-2-fluorobenzamide
InChI Key	MJDRFCPNHLHNON-UHFFFAOYSA-N
Molecular Formula	C7H5BrFNO

2,675

2-Chloro-4-methylsulphonylbenzoic acid, 95%, Thermo Scientific™

CAS: 53250-83-2 Molecular Formula: C8H6ClO4S Molecular Weight (g/mol): 233.64 MDL Number: MFCD00216496 InChI Key: CTTWSFIIFMWHLQ-UHFFFAOYSA-M Synonym: 2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa PubChem CID: 735863 IUPAC Name: 2-chloro-4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1

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Specifications

PubChem CID	735863
CAS	53250-83-2
Molecular Weight (g/mol)	233.64
MDL Number	MFCD00216496
SMILES	CS(=O)(=O)C1=CC=C(C([O-])=O)C(Cl)=C1
Synonym	2-chloro-4-methylsulfonyl benzoic acid,2-chloro-4-methylsulphonylbenzoic acid,2-chloro-4-methanesulfonylbenzoic acid,benzoic acid, 2-chloro-4-methylsulfonyl,2-chloro-4-methanesulfonyl-benzoic acid,2-chloro-4-methylsulfonyl benzoic acid dry basis,maybridge1_004133,cmba,pubchem20281,acmc-1aupa
IUPAC Name	2-chloro-4-methylsulfonylbenzoic acid
InChI Key	CTTWSFIIFMWHLQ-UHFFFAOYSA-M
Molecular Formula	C8H6ClO4S

2,676

Methyl 3-chlorobenzoate, 98%

CAS: 2905-65-9 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00000592 InChI Key: XRDRKVPNHIWTBX-UHFFFAOYSA-N Synonym: methyl m-chlorobenzoate,benzoic acid, 3-chloro-, methyl ester,m-chlorobenzoic acid methyl ester,methyl-3-chlorobenzoate,benzoic acid, m-chloro-, methyl ester,3-chlorobenzoic acid methyl ester,3-chloro-benzoic acid methyl ester,acmc-1cegg,dsstox_cid_7507,3-chlorobenzoic acid methyl PubChem CID: 17946 IUPAC Name: methyl 3-chlorobenzoate SMILES: COC(=O)C1=CC=CC(Cl)=C1

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Specifications

PubChem CID	17946
CAS	2905-65-9
Molecular Weight (g/mol)	170.59
MDL Number	MFCD00000592
SMILES	COC(=O)C1=CC=CC(Cl)=C1
Synonym	methyl m-chlorobenzoate,benzoic acid, 3-chloro-, methyl ester,m-chlorobenzoic acid methyl ester,methyl-3-chlorobenzoate,benzoic acid, m-chloro-, methyl ester,3-chlorobenzoic acid methyl ester,3-chloro-benzoic acid methyl ester,acmc-1cegg,dsstox_cid_7507,3-chlorobenzoic acid methyl
IUPAC Name	methyl 3-chlorobenzoate
InChI Key	XRDRKVPNHIWTBX-UHFFFAOYSA-N
Molecular Formula	C8H7ClO2

2,677

2-Chloro-5-nitrobenzoyl chloride, 96%, Thermo Scientific Chemicals

CAS: 25784-91-2 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.005 MDL Number: MFCD00059180 InChI Key: OGLKKYALUKXVPQ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoylchloride,benzoyl chloride, 2-chloro-5-nitro,acmc-1cq6z,2-chloro-5nitrobenzoyl chloride,2-chloro-5-nitro-benzoylchlorid,2-chloro-5-nitro-benzoic chloride,2-chloro-5-nitro-benzoyl chloride,benzoyl chloride,2-chloro-5-nitro,2-chloranyl-5-nitro-benzoyl chloride,2-chloro-5-nitrobenzoic acid chloride PubChem CID: 117637 IUPAC Name: 2-chloro-5-nitrobenzoyl chloride SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl

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Specifications

PubChem CID	117637
CAS	25784-91-2
Molecular Weight (g/mol)	220.005
MDL Number	MFCD00059180
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl
Synonym	2-chloro-5-nitrobenzoylchloride,benzoyl chloride, 2-chloro-5-nitro,acmc-1cq6z,2-chloro-5nitrobenzoyl chloride,2-chloro-5-nitro-benzoylchlorid,2-chloro-5-nitro-benzoic chloride,2-chloro-5-nitro-benzoyl chloride,benzoyl chloride,2-chloro-5-nitro,2-chloranyl-5-nitro-benzoyl chloride,2-chloro-5-nitrobenzoic acid chloride
IUPAC Name	2-chloro-5-nitrobenzoyl chloride
InChI Key	OGLKKYALUKXVPQ-UHFFFAOYSA-N
Molecular Formula	C7H3Cl2NO3

2,678

2-Fluorobenzoic acid, 99%

CAS: 445-29-4 Molecular Formula: C₇H₅FO₂ Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002405 InChI Key: NSTREUWFTAOOKS-UHFFFAOYSA-N Synonym: o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid PubChem CID: 9935 ChEBI: CHEBI:19577 IUPAC Name: 2-fluorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)F

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Specifications

PubChem CID	9935
CAS	445-29-4
Molecular Weight (g/mol)	140.11
ChEBI	CHEBI:19577
MDL Number	MFCD00002405
SMILES	C1=CC=C(C(=C1)C(=O)O)F
Synonym	o-fluorobenzoic acid,benzoic acid, 2-fluoro,ortho-fluorobenzoic acid,o-fluorbenzoesaeure,benzoic acid, o-fluoro,fluorobenzoic acid,unii-64uz32koo4,o-fluorbenzoesaeure german,ofba,2-fluoro-benzoic acid
IUPAC Name	2-fluorobenzoic acid
InChI Key	NSTREUWFTAOOKS-UHFFFAOYSA-N
Molecular Formula	C₇H₅FO₂

2,679

4-Bromo-3-methylbenzamide, 99%

CAS: 170229-98-8 Molecular Formula: C8H8BrNO Molecular Weight (g/mol): 214.062 MDL Number: MFCD00672914 InChI Key: ZPFPOZMNEKPBIF-UHFFFAOYSA-N Synonym: benzamide,4-bromo-3-methyl,pubchem3804,4-bromo-3-methyl-benzamide,acmc-1c5o5,4-bromanyl-3-methyl-benzamide PubChem CID: 7020869 IUPAC Name: 4-bromo-3-methylbenzamide SMILES: CC1=C(C=CC(=C1)C(=O)N)Br

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Specifications

PubChem CID	7020869
CAS	170229-98-8
Molecular Weight (g/mol)	214.062
MDL Number	MFCD00672914
SMILES	CC1=C(C=CC(=C1)C(=O)N)Br
Synonym	benzamide,4-bromo-3-methyl,pubchem3804,4-bromo-3-methyl-benzamide,acmc-1c5o5,4-bromanyl-3-methyl-benzamide
IUPAC Name	4-bromo-3-methylbenzamide
InChI Key	ZPFPOZMNEKPBIF-UHFFFAOYSA-N
Molecular Formula	C8H8BrNO

2,680

Methyl 4-bromobenzoate, 99%

CAS: 619-42-1 Molecular Formula: C₈H₇BrO₂ Molecular Weight (g/mol): 215.05 MDL Number: MFCD00013531 InChI Key: CZNGTXVOZOWWKM-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate PubChem CID: 12081 IUPAC Name: methyl 4-bromobenzoate SMILES: COC(=O)C1=CC=C(C=C1)Br

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Specifications

PubChem CID	12081
CAS	619-42-1
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00013531
SMILES	COC(=O)C1=CC=C(C=C1)Br
Synonym	benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate
IUPAC Name	methyl 4-bromobenzoate
InChI Key	CZNGTXVOZOWWKM-UHFFFAOYSA-N
Molecular Formula	C₈H₇BrO₂

2,681

2-Bromobenzoic acid, 97%

CAS: 88-65-3 Molecular Formula: C₇H₅BrO₂ Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002402 InChI Key: XRXMNWGCKISMOH-UHFFFAOYSA-N Synonym: o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657 PubChem CID: 6940 IUPAC Name: 2-bromobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Br

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Specifications

PubChem CID	6940
CAS	88-65-3
Molecular Weight (g/mol)	201.02
MDL Number	MFCD00002402
SMILES	C1=CC=C(C(=C1)C(=O)O)Br
Synonym	o-bromobenzoic acid,benzoic acid, 2-bromo,bromobenzoic acid,benzoic acid, o-bromo,2-bromo-benzoic acid,benzoic acid, bromo,unii-az789tzs4l,az789tzs4l,ortho-bromobenzoic acid,attercop-chm at111657
IUPAC Name	2-bromobenzoic acid
InChI Key	XRXMNWGCKISMOH-UHFFFAOYSA-N
Molecular Formula	C₇H₅BrO₂

2,682

4-Iodotoluene, 98%

CAS: 624-31-7 Molecular Formula: C7H7I Molecular Weight (g/mol): 218.037 MDL Number: MFCD00001059 InChI Key: UDHAWRUAECEBHC-UHFFFAOYSA-N Synonym: 4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4- PubChem CID: 12207 IUPAC Name: 1-iodo-4-methylbenzene SMILES: CC1=CC=C(C=C1)I

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Specifications

PubChem CID	12207
CAS	624-31-7
Molecular Weight (g/mol)	218.037
MDL Number	MFCD00001059
SMILES	CC1=CC=C(C=C1)I
Synonym	4-iodotoluene,p-iodotoluene,benzene, 1-iodo-4-methyl,toluene, p-iodo,p-tolyl iodide,p-methyliodobenzene,1-methyl-4-iodobenzene,1-iodo-4-methyl-benzene,unii-g75kcn1am8,iodotoluene 4-
IUPAC Name	1-iodo-4-methylbenzene
InChI Key	UDHAWRUAECEBHC-UHFFFAOYSA-N
Molecular Formula	C7H7I

2,683

p-Iodonitrotetazolium violet, 100.7%, MP Biomedicals™

CAS: 146-68-9 Molecular Formula: C19H13ClIN5O2 Molecular Weight (g/mol): 505.70 MDL Number: MFCD00011961,MFCD00149999 InChI Key: JORABGDXCIBAFL-UHFFFAOYSA-M Synonym: iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride PubChem CID: 64957 ChEBI: CHEBI:75421 IUPAC Name: 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium chloride SMILES: [Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1

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Specifications

PubChem CID	64957
CAS	146-68-9
Molecular Weight (g/mol)	505.70
ChEBI	CHEBI:75421
MDL Number	MFCD00011961,MFCD00149999
SMILES	[Cl-].[O-][N+](=O)C1=CC=C(C=C1)[N+]1=NC(=NN1C1=CC=C(I)C=C1)C1=CC=CC=C1
Synonym	iodonitrotetrazolium chloride,iodonitrotetrazolium,iodonitrotetrazolium purple,iodonitrotetrazolium violet,2-4-iodophenyl-3-4-nitrophenyl-5-phenyltetrazolium chloride,iodonitro tetrazolium,int,p-iodonitrotetrazolium violet,int chemical,2-p-iodophenyl-3-p-nitrophenyl-5-phenyltetrazolium chloride
IUPAC Name	3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-3H-1,2λ⁵,3,4-tetrazol-2-ylium chloride
InChI Key	JORABGDXCIBAFL-UHFFFAOYSA-M
Molecular Formula	C19H13ClIN5O2

2,684

2-Iodoaniline, 98%

CAS: 615-43-0 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.03 MDL Number: MFCD00007680 InChI Key: UBPDKIDWEADHPP-UHFFFAOYSA-N Synonym: o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine PubChem CID: 11995 IUPAC Name: 2-iodoaniline SMILES: NC1=CC=CC=C1I

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Specifications

PubChem CID	11995
CAS	615-43-0
Molecular Weight (g/mol)	219.03
MDL Number	MFCD00007680
SMILES	NC1=CC=CC=C1I
Synonym	o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine
IUPAC Name	2-iodoaniline
InChI Key	UBPDKIDWEADHPP-UHFFFAOYSA-N
Molecular Formula	C6H6IN

2,685

1,3-Diiodobenzene, 98%

CAS: 626-00-6 Molecular Formula: C₆H₄I₂ Molecular Weight (g/mol): 329.9 MDL Number: MFCD00041731 InChI Key: SFPQFQUXAJOWNF-UHFFFAOYSA-N Synonym: m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo PubChem CID: 12270 IUPAC Name: 1,3-diiodobenzene SMILES: C1=CC(=CC(=C1)I)I

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Specifications

PubChem CID	12270
CAS	626-00-6
Molecular Weight (g/mol)	329.9
MDL Number	MFCD00041731
SMILES	C1=CC(=CC(=C1)I)I
Synonym	m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo
IUPAC Name	1,3-diiodobenzene
InChI Key	SFPQFQUXAJOWNF-UHFFFAOYSA-N
Molecular Formula	C₆H₄I₂

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