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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5,206 – 5,220 of 57,282 results

5,206

2,4,6-Trimethylbenzoic Acid 98.0+%, TCI America™

CAS: 480-63-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00002481 InChI Key: FFFIRKXTFQCCKJ-UHFFFAOYSA-N Synonym: mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl PubChem CID: 10194 ChEBI: CHEBI:64830 IUPAC Name: 2,4,6-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C(O)=O)C(C)=C1

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Specifications

PubChem CID	10194
CAS	480-63-7
Molecular Weight (g/mol)	164.20
ChEBI	CHEBI:64830
MDL Number	MFCD00002481
SMILES	CC1=CC(C)=C(C(O)=O)C(C)=C1
Synonym	mesitoic acid,mesitylenecarboxylic acid,beta-isodurylic acid,benzoic acid, 2,4,6-trimethyl,.beta.-isodurylic acid,unii-4pu2hg6787,2-mesitylenecarboxylic acid,2,4,6-trimethyl-benzoic acid,2,6-trimethylbenzoic acid,benzoic acid,4,6-trimethyl
IUPAC Name	2,4,6-trimethylbenzoic acid
InChI Key	FFFIRKXTFQCCKJ-UHFFFAOYSA-N
Molecular Formula	C10H12O2

5,207

1-Nitro-2,5-bis(trifluoromethyl)benzene 98.0+%, TCI America™

CAS: 320-88-7 Molecular Formula: C8H3F6NO2 Molecular Weight (g/mol): 259.107 MDL Number: MFCD00236674 InChI Key: BZKVUOHHNCMTLH-UHFFFAOYSA-N Synonym: 2,5-bis trifluoromethyl nitrobenzene,2-nitro-1,4-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-nitrobenzene,1-nitro-2,5-bis trifluoromethyl benzene,benzene, 2-nitro-1,4-bis trifluoromethyl,2,5-bistrifluoromethylnitrobenzene,pubchem19738,2-nitro-1,4-bis-trifluoromethyl-benzene,acmc-1bn6y,ksc496c8f PubChem CID: 2734048 IUPAC Name: 2-nitro-1,4-bis(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F

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Specifications

PubChem CID	2734048
CAS	320-88-7
Molecular Weight (g/mol)	259.107
MDL Number	MFCD00236674
SMILES	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F
Synonym	2,5-bis trifluoromethyl nitrobenzene,2-nitro-1,4-bis trifluoromethyl benzene,1,4-bis trifluoromethyl-2-nitrobenzene,1-nitro-2,5-bis trifluoromethyl benzene,benzene, 2-nitro-1,4-bis trifluoromethyl,2,5-bistrifluoromethylnitrobenzene,pubchem19738,2-nitro-1,4-bis-trifluoromethyl-benzene,acmc-1bn6y,ksc496c8f
IUPAC Name	2-nitro-1,4-bis(trifluoromethyl)benzene
InChI Key	BZKVUOHHNCMTLH-UHFFFAOYSA-N
Molecular Formula	C8H3F6NO2

5,208

(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 98.0+%, TCI America™

CAS: 225920-05-8 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.163 MDL Number: MFCD03093010 InChI Key: MMSCIQKQJVBPIR-YFKPBYRVSA-N Synonym: (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol, (S)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol PubChem CID: 9816575 IUPAC Name: (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol SMILES: CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O

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Specifications

PubChem CID	9816575
CAS	225920-05-8
Molecular Weight (g/mol)	258.163
MDL Number	MFCD03093010
SMILES	CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
Synonym	(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethyl Alcohol, (S)-3,5-Bis(trifluoromethyl)-alpha-methylbenzyl Alcohol
IUPAC Name	(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
InChI Key	MMSCIQKQJVBPIR-YFKPBYRVSA-N
Molecular Formula	C10H8F6O

5,209

Allyl Benzyl Ether 99.0+%, TCI America™

CAS: 14593-43-2 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00078288 InChI Key: HUGHWHMUUQNACD-UHFFFAOYSA-N PubChem CID: 84542 IUPAC Name: prop-2-enoxymethylbenzene SMILES: C=CCOCC1=CC=CC=C1

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Specifications

PubChem CID	84542
CAS	14593-43-2
Molecular Weight (g/mol)	148.205
MDL Number	MFCD00078288
SMILES	C=CCOCC1=CC=CC=C1
IUPAC Name	prop-2-enoxymethylbenzene
InChI Key	HUGHWHMUUQNACD-UHFFFAOYSA-N
Molecular Formula	C10H12O

5,210

Methyl 3,5-Dibromobenzoate 98.0+%, TCI America™

CAS: 51329-15-8 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.94 MDL Number: MFCD00082648 InChI Key: GSMAWUZTAIOCPL-UHFFFAOYSA-N Synonym: methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770 PubChem CID: 621923 IUPAC Name: methyl 3,5-dibromobenzoate SMILES: COC(=O)C1=CC(Br)=CC(Br)=C1

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Specifications

PubChem CID	621923
CAS	51329-15-8
Molecular Weight (g/mol)	293.94
MDL Number	MFCD00082648
SMILES	COC(=O)C1=CC(Br)=CC(Br)=C1
Synonym	methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770
IUPAC Name	methyl 3,5-dibromobenzoate
InChI Key	GSMAWUZTAIOCPL-UHFFFAOYSA-N
Molecular Formula	C8H6Br2O2

5,211

4-Amino-5-chloro-o-anisic Acid 98.0+%, TCI America™

CAS: 7206-70-4 Molecular Formula: C8H8ClNO3 Molecular Weight (g/mol): 201.606 MDL Number: MFCD00038794 InChI Key: RVEATKYEARPWRE-UHFFFAOYSA-N Synonym: 4-amino-5-chloro-o-anisic acid,unii-pq8l2l84el,benzoic acid, 4-amino-5-chloro-2-methoxy,pq8l2l84el,pubchem15052,acmc-209oll,metoclopramide impurity c,2-methoxy-4-amino-5-chlorobenzoic acid,4amino-5-chloro-2-methoxy-benzoic acid,5-chloro-4-amino-2-methoxybenzoic acid PubChem CID: 81626 IUPAC Name: 4-amino-5-chloro-2-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1C(=O)O)Cl)N

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Specifications

PubChem CID	81626
CAS	7206-70-4
Molecular Weight (g/mol)	201.606
MDL Number	MFCD00038794
SMILES	COC1=CC(=C(C=C1C(=O)O)Cl)N
Synonym	4-amino-5-chloro-o-anisic acid,unii-pq8l2l84el,benzoic acid, 4-amino-5-chloro-2-methoxy,pq8l2l84el,pubchem15052,acmc-209oll,metoclopramide impurity c,2-methoxy-4-amino-5-chlorobenzoic acid,4amino-5-chloro-2-methoxy-benzoic acid,5-chloro-4-amino-2-methoxybenzoic acid
IUPAC Name	4-amino-5-chloro-2-methoxybenzoic acid
InChI Key	RVEATKYEARPWRE-UHFFFAOYSA-N
Molecular Formula	C8H8ClNO3

5,212

4-Nitrobenzyl Cyanide 98.0+%, TCI America™

CAS: 555-21-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00007372 InChI Key: PXNJGLAVKOXITN-UHFFFAOYSA-N Synonym: 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile PubChem CID: 68386 IUPAC Name: 2-(4-nitrophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)[N+](=O)[O-]

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Specifications

PubChem CID	68386
CAS	555-21-5
Molecular Weight (g/mol)	162.148
MDL Number	MFCD00007372
SMILES	C1=CC(=CC=C1CC#N)[N+](=O)[O-]
Synonym	4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile
IUPAC Name	2-(4-nitrophenyl)acetonitrile
InChI Key	PXNJGLAVKOXITN-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

5,213

4-Chloro-3-fluorobenzyl Bromide 98.0+%, TCI America™

CAS: 206362-80-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD04115859 InChI Key: CNUYBEIHDWMLSD-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn PubChem CID: 2783136 IUPAC Name: 4-(bromomethyl)-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(CBr)=C1

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Specifications

PubChem CID	2783136
CAS	206362-80-3
Molecular Weight (g/mol)	223.47
MDL Number	MFCD04115859
SMILES	FC1=C(Cl)C=CC(CBr)=C1
Synonym	4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn
IUPAC Name	4-(bromomethyl)-1-chloro-2-fluorobenzene
InChI Key	CNUYBEIHDWMLSD-UHFFFAOYSA-N
Molecular Formula	C7H5BrClF

5,214

2,4,6-Tri-tert-butylnitrosobenzene 98.0+%, TCI America™

CAS: 24973-59-9 Molecular Formula: C18H29NO Molecular Weight (g/mol): 275.44 MDL Number: MFCD00008817 InChI Key: OSICDPWAPKXXHT-UHFFFAOYSA-N PubChem CID: 90676 IUPAC Name: 1,3,5-tri-tert-butyl-2-nitrosobenzene SMILES: CC(C)(C)C1=CC(=C(N=O)C(=C1)C(C)(C)C)C(C)(C)C

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Specifications

PubChem CID	90676
CAS	24973-59-9
Molecular Weight (g/mol)	275.44
MDL Number	MFCD00008817
SMILES	CC(C)(C)C1=CC(=C(N=O)C(=C1)C(C)(C)C)C(C)(C)C
IUPAC Name	1,3,5-tri-tert-butyl-2-nitrosobenzene
InChI Key	OSICDPWAPKXXHT-UHFFFAOYSA-N
Molecular Formula	C18H29NO

5,215

1'-Acetonaphthone 98.0+%, TCI America™

CAS: 941-98-0 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00004013 InChI Key: QQLIGMASAVJVON-UHFFFAOYSA-N Synonym: 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone PubChem CID: 13663 IUPAC Name: 1-naphthalen-1-ylethanone SMILES: CC(=O)C1=CC=CC2=CC=CC=C21

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Specifications

PubChem CID	13663
CAS	941-98-0
Molecular Weight (g/mol)	170.211
MDL Number	MFCD00004013
SMILES	CC(=O)C1=CC=CC2=CC=CC=C21
Synonym	1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone
IUPAC Name	1-naphthalen-1-ylethanone
InChI Key	QQLIGMASAVJVON-UHFFFAOYSA-N
Molecular Formula	C12H10O

5,216

3,5-Dinitrobenzotrifluoride 98.0+%, TCI America™

CAS: 401-99-0 Molecular Formula: C7H3F3N2O4 Molecular Weight (g/mol): 236.106 MDL Number: MFCD00007233 InChI Key: QZADIXWDDVQVKM-UHFFFAOYSA-N PubChem CID: 123060 IUPAC Name: 1,3-dinitro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

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Specifications

PubChem CID	123060
CAS	401-99-0
Molecular Weight (g/mol)	236.106
MDL Number	MFCD00007233
SMILES	C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
IUPAC Name	1,3-dinitro-5-(trifluoromethyl)benzene
InChI Key	QZADIXWDDVQVKM-UHFFFAOYSA-N
Molecular Formula	C7H3F3N2O4

5,217

1-Nitro-4-(trifluoromethoxy)benzene 96.0+%, TCI America™

CAS: 713-65-5 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00040302 InChI Key: UBEIKVUMDBCCRW-UHFFFAOYSA-N Synonym: 1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole PubChem CID: 522405 IUPAC Name: 1-nitro-4-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1

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Specifications

PubChem CID	522405
CAS	713-65-5
Molecular Weight (g/mol)	207.11
MDL Number	MFCD00040302
SMILES	[O-][N+](=O)C1=CC=C(OC(F)(F)F)C=C1
Synonym	1-nitro-4-trifluoromethoxy benzene,4-trifluoromethoxy nitrobenzene,p-nitrotrifluoromethoxybenzene,4-nitro-1-trifluoromethoxybenzene,1-nitro-4-trifluoromethoxy-benzene,p-nitrotrifluoromethoxybenzen,benzene, 1-nitro-4-trifluoromethoxy,alpha,alpha,alpha-trifluoro-4'-nitroanisole,p-nitrotrifluoroanisole
IUPAC Name	1-nitro-4-(trifluoromethoxy)benzene
InChI Key	UBEIKVUMDBCCRW-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO3

5,218

Sulfamethazine Sodium Salt 97.0+%, TCI America™

CAS: 1981-58-4 Molecular Formula: C12H13N4NaO2S Molecular Weight (g/mol): 300.312 MDL Number: MFCD00068333 InChI Key: NGIVTUVVBWOTNT-UHFFFAOYSA-N Synonym: sulfamethazine sodium salt,sulfamethazine sodium,sulfadimidine sodium,sodium sulfamethazine,sodium sulfametazine,sodium sulfamethamide,sodium sulfamezathine,bovibol,vesadin,sodium sulfamethiazine PubChem CID: 13456556 IUPAC Name: sodium;(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide SMILES: CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+]

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Specifications

PubChem CID	13456556
CAS	1981-58-4
Molecular Weight (g/mol)	300.312
MDL Number	MFCD00068333
SMILES	CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+]
Synonym	sulfamethazine sodium salt,sulfamethazine sodium,sulfadimidine sodium,sodium sulfamethazine,sodium sulfametazine,sodium sulfamethamide,sodium sulfamezathine,bovibol,vesadin,sodium sulfamethiazine
IUPAC Name	sodium;(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
InChI Key	NGIVTUVVBWOTNT-UHFFFAOYSA-N
Molecular Formula	C12H13N4NaO2S

5,219

Phenyl Dichlorophosphate 98.0+%, TCI America™

CAS: 770-12-7 Molecular Formula: C6H5Cl2O2P Molecular Weight (g/mol): 210.978 MDL Number: MFCD00002067 InChI Key: TXFOLHZMICYNRM-UHFFFAOYSA-N Synonym: phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester PubChem CID: 13038 IUPAC Name: dichlorophosphoryloxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl

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Specifications

PubChem CID	13038
CAS	770-12-7
Molecular Weight (g/mol)	210.978
MDL Number	MFCD00002067
SMILES	C1=CC=C(C=C1)OP(=O)(Cl)Cl
Synonym	phenyl dichlorophosphate,phenyl phosphorodichloridate,dichlorophenoxyphosphine oxide,phosphorodichloridic acid, phenyl ester,phenylphosphoric dichloride,phenyl phosphorodichlorodate,phenoxydichlorophosphine oxide,phenyldichlorophosphate,phenoxyphosphoryl dichloride,phosphoroyl dichloride phenyl ester
IUPAC Name	dichlorophosphoryloxybenzene
InChI Key	TXFOLHZMICYNRM-UHFFFAOYSA-N
Molecular Formula	C6H5Cl2O2P

5,220

3-Bromophenylsulfur Pentafluoride 95.0+%, TCI America™

CAS: 672-30-0 Molecular Formula: C6H4BrF5S Molecular Weight (g/mol): 283.05 MDL Number: MFCD03425927 InChI Key: QRPMKEUTGAXKSD-UHFFFAOYSA-N PubChem CID: 2779192 IUPAC Name: 1-bromo-3-(pentafluoro-λ⁶-sulfanyl)benzene SMILES: FS(F)(F)(F)(F)C1=CC(Br)=CC=C1

Pricing & Availability
Specifications

PubChem CID	2779192
CAS	672-30-0
Molecular Weight (g/mol)	283.05
MDL Number	MFCD03425927
SMILES	FS(F)(F)(F)(F)C1=CC(Br)=CC=C1
IUPAC Name	1-bromo-3-(pentafluoro-λ⁶-sulfanyl)benzene
InChI Key	QRPMKEUTGAXKSD-UHFFFAOYSA-N
Molecular Formula	C6H4BrF5S

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