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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1,501 – 1,515 of 64,662 results

1,501

2-Amino-3,5-dibromobenzoic acid, Thermo Scientific™

CAS: 609-85-8 Molecular Formula: C7H5Br2NO2 Molecular Weight (g/mol): 294.93 MDL Number: MFCD00017087 InChI Key: WNABMWFLKQEGCP-UHFFFAOYSA-N Synonym: 3,5-dibromoanthranilic acid,2-amino-3,5-dibromobenzoicacid,3,5-dibromo-2-aminobenzoic acid,buttpark 89\07-50,2-amino-3,5-dibromo-benzoic acid,benzoic acid, 2-amino-3,5-dibromo,acmc-20ahts,pubchem3720,2-carboxy-4,6-dibromoaniline,ghl.pd_mitscher_leg0.1128 PubChem CID: 219491 IUPAC Name: 2-amino-3,5-dibromobenzoic acid SMILES: NC1=C(Br)C=C(Br)C=C1C(O)=O

Pricing & Availability
Specifications

PubChem CID	219491
CAS	609-85-8
Molecular Weight (g/mol)	294.93
MDL Number	MFCD00017087
SMILES	NC1=C(Br)C=C(Br)C=C1C(O)=O
Synonym	3,5-dibromoanthranilic acid,2-amino-3,5-dibromobenzoicacid,3,5-dibromo-2-aminobenzoic acid,buttpark 89\07-50,2-amino-3,5-dibromo-benzoic acid,benzoic acid, 2-amino-3,5-dibromo,acmc-20ahts,pubchem3720,2-carboxy-4,6-dibromoaniline,ghl.pd_mitscher_leg0.1128
IUPAC Name	2-amino-3,5-dibromobenzoic acid
InChI Key	WNABMWFLKQEGCP-UHFFFAOYSA-N
Molecular Formula	C7H5Br2NO2

1,502

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

1,503

2-Amino-3-methylbenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 4389-45-1 Molecular Formula: C₈H₉NO₂ Molecular Weight (g/mol): 151.16 MDL Number: MFCD00007745 InChI Key: WNAJXPYVTFYEST-UHFFFAOYSA-N Synonym: 3-methylanthranilic acid,2-amino-3-methyl-benzoic acid,2-amino-3-methylbenzoicacid,3-methyl-2-aminobenzoic acid,benzoic acid, 2-amino-3-methyl,2-amino-m-toluic acid,2-amino-3-methyl benzoic acid,m-toluic acid, 2-amino,unii-8rgx6sqe9n,2-amino-3-methylbenzoate PubChem CID: 78101 ChEBI: CHEBI:80574 IUPAC Name: 2-amino-3-methylbenzoic acid SMILES: CC1=CC=CC(=C1N)C(=O)O

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Specifications

PubChem CID	78101
CAS	4389-45-1
Molecular Weight (g/mol)	151.16
ChEBI	CHEBI:80574
MDL Number	MFCD00007745
SMILES	CC1=CC=CC(=C1N)C(=O)O
Synonym	3-methylanthranilic acid,2-amino-3-methyl-benzoic acid,2-amino-3-methylbenzoicacid,3-methyl-2-aminobenzoic acid,benzoic acid, 2-amino-3-methyl,2-amino-m-toluic acid,2-amino-3-methyl benzoic acid,m-toluic acid, 2-amino,unii-8rgx6sqe9n,2-amino-3-methylbenzoate
IUPAC Name	2-amino-3-methylbenzoic acid
InChI Key	WNAJXPYVTFYEST-UHFFFAOYSA-N
Molecular Formula	C₈H₉NO₂

1,504

4-Dimethylaminobenzoic acid, 98%

CAS: 619-84-1 Molecular Formula: C₉H₁₁NO₂ Molecular Weight (g/mol): 165.19 MDL Number: MFCD00002537 InChI Key: YDIYEOMDOWUDTJ-UHFFFAOYSA-N Synonym: 4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid PubChem CID: 12092 IUPAC Name: 4-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	12092
CAS	619-84-1
Molecular Weight (g/mol)	165.19
MDL Number	MFCD00002537
SMILES	CN(C)C1=CC=C(C=C1)C(=O)O
Synonym	4-dimethylamino benzoic acid,benzoic acid, 4-dimethylamino,benzoic acid, p-dimethylamino,p-dimethylaminobenzoic acid,n,n-dimethyl-p-aminobenzoic acid,n,n-dimethyl-4-aminobenzoic acid,p-n,n-dimethylamino benzoic acid,p-dimethylamino benzoic acid,unii-d1ma908ev0,4-n,n-dimethylamino benzoic acid
IUPAC Name	4-(dimethylamino)benzoic acid
InChI Key	YDIYEOMDOWUDTJ-UHFFFAOYSA-N
Molecular Formula	C₉H₁₁NO₂

1,505

n-(3-Formylphenyl)methanesulfonamide, ≥97%, Thermo Scientific™

CAS: 55512-05-5 Molecular Formula: C8H9NO3S Molecular Weight (g/mol): 199.22 MDL Number: MFCD03198179 InChI Key: CBDSSTWZEANOCR-UHFFFAOYSA-N Synonym: n-3-formylphenyl methanesulfonamide,3-methylsulfonamido benzaldehyde,methanesulfonamide, n-3-formylphenyl,3-methylsulfonyl amino benzaldehyde,n-3-formylphenyl methanesulphonamide,m-methylsulfonylamino benzaldehyde,3-methylsulfonylamino benzaldehyde,methanesulfonamide,n-3-formylphenyl,n-3-formyl-phenyl-methanesulfonamide PubChem CID: 2794787 IUPAC Name: N-(3-formylphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=CC=CC(C=O)=C1

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Specifications

PubChem CID	2794787
CAS	55512-05-5
Molecular Weight (g/mol)	199.22
MDL Number	MFCD03198179
SMILES	CS(=O)(=O)NC1=CC=CC(C=O)=C1
Synonym	n-3-formylphenyl methanesulfonamide,3-methylsulfonamido benzaldehyde,methanesulfonamide, n-3-formylphenyl,3-methylsulfonyl amino benzaldehyde,n-3-formylphenyl methanesulphonamide,m-methylsulfonylamino benzaldehyde,3-methylsulfonylamino benzaldehyde,methanesulfonamide,n-3-formylphenyl,n-3-formyl-phenyl-methanesulfonamide
IUPAC Name	N-(3-formylphenyl)methanesulfonamide
InChI Key	CBDSSTWZEANOCR-UHFFFAOYSA-N
Molecular Formula	C8H9NO3S

1,506

3-Hydroxy-4-nitrobenzoic acid, 98%

CAS: 619-14-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007110 InChI Key: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonym: 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 IUPAC Name: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

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Specifications

PubChem CID	69265
CAS	619-14-7
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007110
SMILES	OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Synonym	3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid
IUPAC Name	3-hydroxy-4-nitrobenzoic acid
InChI Key	XLDLRRGZWIEEHT-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

1,507

4-Methoxy-3-nitrobenzoic acid, 98%, Thermo Scientific™

CAS: 89-41-8 Molecular Formula: C₈H₇NO₅ Molecular Weight (g/mol): 197.15 MDL Number: MFCD00007256 InChI Key: ANXBDAFDZSXOPQ-UHFFFAOYSA-N Synonym: 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid PubChem CID: 66640 SMILES: COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	66640
CAS	89-41-8
Molecular Weight (g/mol)	197.15
MDL Number	MFCD00007256
SMILES	COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym	4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid
InChI Key	ANXBDAFDZSXOPQ-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₅

1,508

2,4,6-Trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide, Thermo Scientific Chemicals

CAS: 313981-55-4 Molecular Formula: C16H16F3NO2S Molecular Weight (g/mol): 343.36 MDL Number: MFCD00784362 InChI Key: SKJJIFRWCCSXGL-UHFFFAOYSA-N Synonym: o-3m3fbs,2,4,6-trimethyl-n-2-trifluoromethyl phenyl benzenesulfonamide,tocris-1942,benzenesulfonamide,2,4,6-trimethyl-n-2-trifluoromethyl phenyl PubChem CID: 770820 IUPAC Name: 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide SMILES: CC1=CC(C)=C(C(C)=C1)S(=O)(=O)NC1=CC=CC=C1C(F)(F)F

Pricing & Availability
Specifications

PubChem CID	770820
CAS	313981-55-4
Molecular Weight (g/mol)	343.36
MDL Number	MFCD00784362
SMILES	CC1=CC(C)=C(C(C)=C1)S(=O)(=O)NC1=CC=CC=C1C(F)(F)F
Synonym	o-3m3fbs,2,4,6-trimethyl-n-2-trifluoromethyl phenyl benzenesulfonamide,tocris-1942,benzenesulfonamide,2,4,6-trimethyl-n-2-trifluoromethyl phenyl
IUPAC Name	2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
InChI Key	SKJJIFRWCCSXGL-UHFFFAOYSA-N
Molecular Formula	C16H16F3NO2S

1,509

5-Nitro-2-(3-phenylpropylamino)benzoic acid, 98%

CAS: 107254-86-4 Molecular Formula: C16H16N2O4 Molecular Weight (g/mol): 300.31 MDL Number: MFCD00153851 InChI Key: WBSMIPAMAXNXFS-UHFFFAOYSA-N Synonym: nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814 PubChem CID: 4549 ChEBI: CHEBI:34457 IUPAC Name: 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid SMILES: OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O

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Specifications

PubChem CID	4549
CAS	107254-86-4
Molecular Weight (g/mol)	300.31
ChEBI	CHEBI:34457
MDL Number	MFCD00153851
SMILES	OC(=O)C1=CC(=CC=C1NCCCC1=CC=CC=C1)[N+]([O-])=O
Synonym	nppb,5-nitro-2-3-phenylpropylamino benzoic acid,unii-3a35o9g3yz,5-nitro-2-3-phenylpropyl amino benzoic acid,benzoic acid,5-nitro-2-3-phenylpropyl amino,benzoic acid, 5-nitro-2-3-phenylpropyl amino,5-nitro-2-3-phenylpropylamino-benzoic acid,5-nitro-2-phenylpropylaminobenzoic acid nppb,5-nitro-2-3-phenylpropylamino benzoic acid nppb,spectrum_001814
IUPAC Name	5-nitro-2-[(3-phenylpropyl)amino]benzoic acid
InChI Key	WBSMIPAMAXNXFS-UHFFFAOYSA-N
Molecular Formula	C16H16N2O4

1,510

4-Methyl-3-nitrobenzoic acid, 99%

CAS: 96-98-0 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

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Specifications

PubChem CID	7319
CAS	96-98-0
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007174
SMILES	CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI Key	BBEWSMNRCUXQRF-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

1,511

2-Chloro-4-nitrobenzoic acid, 98%

CAS: 99-60-5 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

Pricing & Availability
Specifications

PubChem CID	7448
CAS	99-60-5
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007209
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
InChI Key	QAYNSPOKTRVZRC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

1,512

2-(2-Bromophenyl)furan, ≥97%, Thermo Scientific™

CAS: 38527-58-1 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.069 MDL Number: MFCD08435878 InChI Key: YWWTWWDBLGSPAA-UHFFFAOYSA-N Synonym: 2-2-bromophenyl furan,furan,2-2-bromophenyl PubChem CID: 11615504 IUPAC Name: 2-(2-bromophenyl)furan SMILES: C1=CC=C(C(=C1)C2=CC=CO2)Br

Pricing & Availability
Specifications

PubChem CID	11615504
CAS	38527-58-1
Molecular Weight (g/mol)	223.069
MDL Number	MFCD08435878
SMILES	C1=CC=C(C(=C1)C2=CC=CO2)Br
Synonym	2-2-bromophenyl furan,furan,2-2-bromophenyl
IUPAC Name	2-(2-bromophenyl)furan
InChI Key	YWWTWWDBLGSPAA-UHFFFAOYSA-N
Molecular Formula	C10H7BrO

1,513

(4-Bromophenyl)methanesulfonyl chloride, 97%, Thermo Scientific™

CAS: 53531-69-4 Molecular Formula: C7H6BrClO2S Molecular Weight (g/mol): 269.537 MDL Number: MFCD04973454 InChI Key: ZWVWFWGJZPHCHF-UHFFFAOYSA-N Synonym: 4-bromobenzylsulfonyl chloride,4-bromophenyl methanesulfonyl chloride,4-bromobenzylsulphonyl chloride,benzenemethanesulfonyl chloride, 4-bromo,4-bromophenyl methanesulphonyl chloride,4-bromophenyl methyl chlorosulfone,4-bromo-phenyl-methanesulfonyl chloride,4-bromo-benzenemethanesulfonyl chloride,pubchem2155,acmc-209l8j PubChem CID: 598764 IUPAC Name: (4-bromophenyl)methanesulfonyl chloride SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)Br

Pricing & Availability
Specifications

PubChem CID	598764
CAS	53531-69-4
Molecular Weight (g/mol)	269.537
MDL Number	MFCD04973454
SMILES	C1=CC(=CC=C1CS(=O)(=O)Cl)Br
Synonym	4-bromobenzylsulfonyl chloride,4-bromophenyl methanesulfonyl chloride,4-bromobenzylsulphonyl chloride,benzenemethanesulfonyl chloride, 4-bromo,4-bromophenyl methanesulphonyl chloride,4-bromophenyl methyl chlorosulfone,4-bromo-phenyl-methanesulfonyl chloride,4-bromo-benzenemethanesulfonyl chloride,pubchem2155,acmc-209l8j
IUPAC Name	(4-bromophenyl)methanesulfonyl chloride
InChI Key	ZWVWFWGJZPHCHF-UHFFFAOYSA-N
Molecular Formula	C7H6BrClO2S

1,514

3-Amino-4-chlorobenzoic acid, 98%, Thermo Scientific™

CAS: 2840-28-0 Molecular Formula: C₇H₆ClNO₂ Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007671 InChI Key: DMGFVJVLVZOSOE-UHFFFAOYSA-N Synonym: benzoic acid, 3-amino-4-chloro,unii-3q8r4430cf,3-amino-4-chloro benzoic acid,3-amino-4-chloro-benzoic acid,4-chloro-3-amino benzoic acid,pubchem8988,acmc-1cmgg,5-carboxy-2-chloroaniline,dsstox_cid_24414,dsstox_rid_80213 PubChem CID: 76092 IUPAC Name: 3-amino-4-chlorobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)Cl

Pricing & Availability
Specifications

PubChem CID	76092
CAS	2840-28-0
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00007671
SMILES	C1=CC(=C(C=C1C(=O)O)N)Cl
Synonym	benzoic acid, 3-amino-4-chloro,unii-3q8r4430cf,3-amino-4-chloro benzoic acid,3-amino-4-chloro-benzoic acid,4-chloro-3-amino benzoic acid,pubchem8988,acmc-1cmgg,5-carboxy-2-chloroaniline,dsstox_cid_24414,dsstox_rid_80213
IUPAC Name	3-amino-4-chlorobenzoic acid
InChI Key	DMGFVJVLVZOSOE-UHFFFAOYSA-N
Molecular Formula	C₇H₆ClNO₂

1,515

4-(4-Methylperhydro-1,4-diazepin-1-yl)benzoic acid hydrochloride hydrate, 95%, Thermo Scientific™

CAS: 303134-03-4 Molecular Formula: C13H19ClN2O2 Molecular Weight (g/mol): 270.757 MDL Number: MFCD09064999 InChI Key: KJZVHMAKWMCIBB-UHFFFAOYSA-N Synonym: 4-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,4-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1 PubChem CID: 24229616 IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride SMILES: CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.Cl

Pricing & Availability
Specifications

PubChem CID	24229616
CAS	303134-03-4
Molecular Weight (g/mol)	270.757
MDL Number	MFCD09064999
SMILES	CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)O.Cl
Synonym	4-4-methyl-1,4-diazepan-1-yl benzoic acid hydrochloride,4-4-methyl-1,4-diazepan-1-yl benzoic acid-hydrogen chloride 1/1
IUPAC Name	4-(4-methyl-1,4-diazepan-1-yl)benzoic acid;hydrochloride
InChI Key	KJZVHMAKWMCIBB-UHFFFAOYSA-N
Molecular Formula	C13H19ClN2O2

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