Benzene and substituted derivatives

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6,211 – 6,225 of 76,864 results

6,211

2-Amino-5-bromobenzonitrile 98.0+%, TCI America™

CAS: 39263-32-6 Molecular Formula: C7H5BrN2 Molecular Weight (g/mol): 197.04 MDL Number: MFCD00158946 InChI Key: OATYCBHROMXWJO-UHFFFAOYSA-N Synonym: 4-bromo-2-cyanoaniline,2-amino-5-brombenzonitrile,2-amio-5-bromobenzonitrile,5-bromoanthranilonitrile,2-amino-5-bromobenzenecarbonitrile,2-amino-5-bromo-benzonitrile,benzonitrile, 2-amino-5-bromo,2-bromo-5-cyanoaniline,pubchem4602,2-cyano-4-bromoaniline PubChem CID: 429740 IUPAC Name: 2-amino-5-bromobenzonitrile SMILES: NC1=CC=C(Br)C=C1C#N

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PubChem CID	429740
CAS	39263-32-6
Molecular Weight (g/mol)	197.04
MDL Number	MFCD00158946
SMILES	NC1=CC=C(Br)C=C1C#N
Synonym	4-bromo-2-cyanoaniline,2-amino-5-brombenzonitrile,2-amio-5-bromobenzonitrile,5-bromoanthranilonitrile,2-amino-5-bromobenzenecarbonitrile,2-amino-5-bromo-benzonitrile,benzonitrile, 2-amino-5-bromo,2-bromo-5-cyanoaniline,pubchem4602,2-cyano-4-bromoaniline
IUPAC Name	2-amino-5-bromobenzonitrile
InChI Key	OATYCBHROMXWJO-UHFFFAOYSA-N
Molecular Formula	C7H5BrN2

6,212

2-tert-Butyl-4-ethylphenol 97.0+%, TCI America™

CAS: 96-70-8 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.28 MDL Number: MFCD00069413 InChI Key: LZHCVNIARUXHAL-UHFFFAOYSA-N PubChem CID: 7309 IUPAC Name: 2-tert-butyl-4-ethylphenol SMILES: CCC1=CC=C(O)C(=C1)C(C)(C)C

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PubChem CID	7309
CAS	96-70-8
Molecular Weight (g/mol)	178.28
MDL Number	MFCD00069413
SMILES	CCC1=CC=C(O)C(=C1)C(C)(C)C
IUPAC Name	2-tert-butyl-4-ethylphenol
InChI Key	LZHCVNIARUXHAL-UHFFFAOYSA-N
Molecular Formula	C12H18O

6,213

5,8-Dibromo-2,3-bis(4-methoxyphenyl)quinoxaline 98.0+%, TCI America™

CAS: 162967-90-0 Molecular Formula: C22H16Br2N2O2 Molecular Weight (g/mol): 500.19 InChI Key: PEHOANSJGUIQOF-UHFFFAOYSA-N PubChem CID: 57712549 IUPAC Name: 5,8-dibromo-2,3-bis(4-methoxyphenyl)quinoxaline SMILES: COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3N=C2C4=CC=C(C=C4)OC)Br)Br

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Specifications

PubChem CID	57712549
CAS	162967-90-0
Molecular Weight (g/mol)	500.19
SMILES	COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3N=C2C4=CC=C(C=C4)OC)Br)Br
IUPAC Name	5,8-dibromo-2,3-bis(4-methoxyphenyl)quinoxaline
InChI Key	PEHOANSJGUIQOF-UHFFFAOYSA-N
Molecular Formula	C22H16Br2N2O2

6,214

2-(4-Methoxyphenyl)benzothiazole 98.0+%, TCI America™

CAS: 6265-92-5 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 InChI Key: AOPZIJQISHFZBN-UHFFFAOYSA-N Synonym: 4-(2-Benzothiazolyl)anisole, 1-(2-Benzothiazolyl)-4-methoxybenzene PubChem CID: 95753 IUPAC Name: 2-(4-methoxyphenyl)-1,3-benzothiazole SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

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Specifications

PubChem CID	95753
CAS	6265-92-5
Molecular Weight (g/mol)	241.308
SMILES	COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
Synonym	4-(2-Benzothiazolyl)anisole, 1-(2-Benzothiazolyl)-4-methoxybenzene
IUPAC Name	2-(4-methoxyphenyl)-1,3-benzothiazole
InChI Key	AOPZIJQISHFZBN-UHFFFAOYSA-N
Molecular Formula	C14H11NOS

6,215

Sodium Phenoxyacetate 98.0+%, TCI America™

CAS: 3598-16-1 Molecular Formula: C8H7NaO3 Molecular Weight (g/mol): 174.13 MDL Number: MFCD00064234 InChI Key: WPTJBFNYRRZIDZ-UHFFFAOYSA-M Synonym: Phenoxyacetic Acid Sodium Salt PubChem CID: 23687423 IUPAC Name: sodium 2-phenoxyacetate SMILES: [Na+].[O-]C(=O)COC1=CC=CC=C1

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Specifications

PubChem CID	23687423
CAS	3598-16-1
Molecular Weight (g/mol)	174.13
MDL Number	MFCD00064234
SMILES	[Na+].[O-]C(=O)COC1=CC=CC=C1
Synonym	Phenoxyacetic Acid Sodium Salt
IUPAC Name	sodium 2-phenoxyacetate
InChI Key	WPTJBFNYRRZIDZ-UHFFFAOYSA-M
Molecular Formula	C8H7NaO3

6,216

Tetrachlorophthalic Acid Hemihydrate 98.0+%, TCI America™

CAS: 632-58-6 Molecular Formula: C8H2Cl4O4 Molecular Weight (g/mol): 303.90 MDL Number: MFCD00053309 InChI Key: WZHHYIOUKQNLQM-UHFFFAOYSA-N PubChem CID: 12442 IUPAC Name: tetrachlorobenzene-1,2-dicarboxylic acid SMILES: OC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C(O)=O

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Specifications

PubChem CID	12442
CAS	632-58-6
Molecular Weight (g/mol)	303.90
MDL Number	MFCD00053309
SMILES	OC(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1C(O)=O
IUPAC Name	tetrachlorobenzene-1,2-dicarboxylic acid
InChI Key	WZHHYIOUKQNLQM-UHFFFAOYSA-N
Molecular Formula	C8H2Cl4O4

6,217

Ethyl 4-Chlorobenzoate 96.0+%, TCI America™

CAS: 7335-27-5 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.62 MDL Number: MFCD00013645 InChI Key: RWBYCMPOFNRISR-UHFFFAOYSA-N Synonym: ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705 PubChem CID: 81785 IUPAC Name: ethyl 4-chlorobenzoate SMILES: CCOC(=O)C1=CC=C(Cl)C=C1

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Specifications

PubChem CID	81785
CAS	7335-27-5
Molecular Weight (g/mol)	184.62
MDL Number	MFCD00013645
SMILES	CCOC(=O)C1=CC=C(Cl)C=C1
Synonym	ethyl p-chlorobenzoate,benzoic acid, 4-chloro-, ethyl ester,ethyl-4-chlorobenzoate,p-ethoxycarbonyl phenyl chloride,ethyl4-chlorobenzoate,rarechem al bi 0077,4-chlorobenzoic acid ethyl ester,ethyl p-chlorobenzate,benzoic acid, p-chloro-, ethyl ester,pubchem3705
IUPAC Name	ethyl 4-chlorobenzoate
InChI Key	RWBYCMPOFNRISR-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

6,218

Dipropyl Tetrachlorophthalate 98.0+%, TCI America™

CAS: 6928-67-2 Molecular Formula: C14H14Cl4O4 Molecular Weight (g/mol): 388.062 MDL Number: MFCD00059245 InChI Key: QJRSPJSHRYYBJL-UHFFFAOYSA-N Synonym: Tetrachlorophthalic Acid Dipropyl Ester PubChem CID: 81346 IUPAC Name: dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate SMILES: CCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCCC

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Specifications

PubChem CID	81346
CAS	6928-67-2
Molecular Weight (g/mol)	388.062
MDL Number	MFCD00059245
SMILES	CCCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OCCC
Synonym	Tetrachlorophthalic Acid Dipropyl Ester
IUPAC Name	dipropyl 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate
InChI Key	QJRSPJSHRYYBJL-UHFFFAOYSA-N
Molecular Formula	C14H14Cl4O4

6,219

2-Bromo-3-methylbenzoic Acid 98.0+%, TCI America™

CAS: 53663-39-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00079721 InChI Key: LSRTWJCYIWGKCQ-UHFFFAOYSA-N Synonym: 2-bromo-3-methyl-benzoic acid,2-bromo-m-toluic acid,2-bromo-3-carboxytoluene,2-bromo-3-methylbenzoicacid,3-methyl-2-bromobenzoic acid,benzoic acid, bromo-3-methyl,2-brom-3-methylbenzoic acid,pubchem3805,acmc-1ay3t,ksc497o4r PubChem CID: 2735588 IUPAC Name: 2-bromo-3-methylbenzoic acid SMILES: CC1=CC=CC(=C1Br)C(=O)O

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Specifications

PubChem CID	2735588
CAS	53663-39-1
Molecular Weight (g/mol)	215.046
MDL Number	MFCD00079721
SMILES	CC1=CC=CC(=C1Br)C(=O)O
Synonym	2-bromo-3-methyl-benzoic acid,2-bromo-m-toluic acid,2-bromo-3-carboxytoluene,2-bromo-3-methylbenzoicacid,3-methyl-2-bromobenzoic acid,benzoic acid, bromo-3-methyl,2-brom-3-methylbenzoic acid,pubchem3805,acmc-1ay3t,ksc497o4r
IUPAC Name	2-bromo-3-methylbenzoic acid
InChI Key	LSRTWJCYIWGKCQ-UHFFFAOYSA-N
Molecular Formula	C8H7BrO2

6,220

Phenoxyacetic Anhydride 98.0+%, TCI America™

CAS: 14316-61-1 Molecular Formula: C16H14O5 Molecular Weight (g/mol): 286.283 MDL Number: MFCD00059681 InChI Key: CCSBNBKMACZDGN-UHFFFAOYSA-N PubChem CID: 318938 IUPAC Name: (2-phenoxyacetyl) 2-phenoxyacetate SMILES: C1=CC=C(C=C1)OCC(=O)OC(=O)COC2=CC=CC=C2

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Specifications

PubChem CID	318938
CAS	14316-61-1
Molecular Weight (g/mol)	286.283
MDL Number	MFCD00059681
SMILES	C1=CC=C(C=C1)OCC(=O)OC(=O)COC2=CC=CC=C2
IUPAC Name	(2-phenoxyacetyl) 2-phenoxyacetate
InChI Key	CCSBNBKMACZDGN-UHFFFAOYSA-N
Molecular Formula	C16H14O5

6,221

Benzyltrimethylammonium Tetrachloroiodate 95.0+%, TCI America™

CAS: 121309-88-4 Molecular Formula: C10H16Cl4IN Molecular Weight (g/mol): 418.949 MDL Number: MFCD00191607 InChI Key: IBXYFQYYVRYALP-UHFFFAOYSA-N PubChem CID: 11122622 SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-](Cl)(Cl)Cl

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PubChem CID	11122622
CAS	121309-88-4
Molecular Weight (g/mol)	418.949
MDL Number	MFCD00191607
SMILES	C[N+](C)(C)CC1=CC=CC=C1.Cl[I-](Cl)(Cl)Cl
InChI Key	IBXYFQYYVRYALP-UHFFFAOYSA-N
Molecular Formula	C10H16Cl4IN

6,222

[1-[(3,5-Dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-4-iodobenzene](difluoroborane) 98.0+%, TCI America™

CAS: 250734-47-5 Molecular Formula: C19H18BF2IN2 Molecular Weight (g/mol): 450.078 InChI Key: VPZZHCAOEMWMSI-UHFFFAOYSA-N PubChem CID: 25058171 ChEBI: CHEBI:51122 SMILES: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=C(C=C4)I)C)C)(F)F

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Specifications

PubChem CID	25058171
CAS	250734-47-5
Molecular Weight (g/mol)	450.078
ChEBI	CHEBI:51122
SMILES	[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=C(C=C4)I)C)C)(F)F
InChI Key	VPZZHCAOEMWMSI-UHFFFAOYSA-N
Molecular Formula	C19H18BF2IN2

6,223

2,2'-Dithiobis(6-fluorobenzoic Acid) 98.0+%, TCI America™

CAS: 147027-64-3 Molecular Formula: C14H8F2O4S2 Molecular Weight (g/mol): 342.331 InChI Key: QEONSZINEMHFPH-UHFFFAOYSA-N Synonym: Bis(2-carboxy-3-fluorophenyl) Disulfide PubChem CID: 9974633 IUPAC Name: 2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F

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Specifications

PubChem CID	9974633
CAS	147027-64-3
Molecular Weight (g/mol)	342.331
SMILES	C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F
Synonym	Bis(2-carboxy-3-fluorophenyl) Disulfide
IUPAC Name	2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid
InChI Key	QEONSZINEMHFPH-UHFFFAOYSA-N
Molecular Formula	C14H8F2O4S2

6,224

4-Methoxysalicylic Acid 98.0+%, TCI America™

CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1

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Specifications

PubChem CID	75231
CAS	2237-36-7
Molecular Weight (g/mol)	168.15
MDL Number	MFCD00002450
SMILES	COC1=CC=C(C(O)=O)C(O)=C1
Synonym	4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b
IUPAC Name	2-hydroxy-4-methoxybenzoic acid
InChI Key	MRIXVKKOHPQOFK-UHFFFAOYSA-N
Molecular Formula	C8H8O4

6,225

2-Amino-3-methoxybenzoic Acid 99.0+%, TCI America™

CAS: 3177-80-8 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00075178 InChI Key: SXOPCLUOUFQBJV-UHFFFAOYSA-N Synonym: 3-methoxyanthranilic acid,benzoic acid, 2-amino-3-methoxy,3-methoxyanthranilate,m-anisic acid, 2-amino,3-methoxy-2-aminobenzoic acid,2-amino-3-methoxy-benzoic acid,2-amino-3-methoxy benzoic acid,2-amino-3-methyloxy benzoic acid,2-amino-3-methoxybenzoicacid PubChem CID: 255720 ChEBI: CHEBI:27440 IUPAC Name: 2-amino-3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1N)C(=O)O

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Specifications

PubChem CID	255720
CAS	3177-80-8
Molecular Weight (g/mol)	167.164
ChEBI	CHEBI:27440
MDL Number	MFCD00075178
SMILES	COC1=CC=CC(=C1N)C(=O)O
Synonym	3-methoxyanthranilic acid,benzoic acid, 2-amino-3-methoxy,3-methoxyanthranilate,m-anisic acid, 2-amino,3-methoxy-2-aminobenzoic acid,2-amino-3-methoxy-benzoic acid,2-amino-3-methoxy benzoic acid,2-amino-3-methyloxy benzoic acid,2-amino-3-methoxybenzoicacid
IUPAC Name	2-amino-3-methoxybenzoic acid
InChI Key	SXOPCLUOUFQBJV-UHFFFAOYSA-N
Molecular Formula	C8H9NO3

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