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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.
Benzyl Derivatives (1,408)
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1 2-Dihalobenzenes (2)
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1 – 15 of 8,375 results
1

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

PubChem CID 2776489
CAS 58419-69-5
Molecular Weight (g/mol) 238.088
MDL Number MFCD04113600
SMILES C1=CC(=CC=C1CBr)N2C=NC=N2
Synonym 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
IUPAC Name 1-[4-(bromomethyl)phenyl]-1,2,4-triazole
InChI Key NOUAEJFAVOHNSY-UHFFFAOYSA-N
Molecular Formula C9H8BrN3
2

4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine, 97%, Thermo Scientific™

CAS: 364794-79-6 Molecular Formula: C17H26BNO3 Molecular Weight (g/mol): 303.21 MDL Number: MFCD04974052 InChI Key: JOIXYIWXEYXHHG-UHFFFAOYSA-N Synonym: 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane PubChem CID: 2795502 IUPAC Name: 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1

PubChem CID 2795502
CAS 364794-79-6
Molecular Weight (g/mol) 303.21
MDL Number MFCD04974052
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1
Synonym 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane
IUPAC Name 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
InChI Key JOIXYIWXEYXHHG-UHFFFAOYSA-N
Molecular Formula C17H26BNO3
3

tert-Butyl N-[4-(aminomethyl)phenyl]carbamate, 97%, Thermo Scientific™

CAS: 220298-96-4 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD02183573 InChI Key: URXUHALBOWYXJZ-UHFFFAOYSA-N Synonym: tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate PubChem CID: 2794659 IUPAC Name: tert-butyl N-[4-(aminomethyl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1

PubChem CID 2794659
CAS 220298-96-4
Molecular Weight (g/mol) 222.29
MDL Number MFCD02183573
SMILES CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1
Synonym tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate
IUPAC Name tert-butyl N-[4-(aminomethyl)phenyl]carbamate
InChI Key URXUHALBOWYXJZ-UHFFFAOYSA-N
Molecular Formula C12H18N2O2
4

5-Sulfosalicylic Acid Dihydrate (Crystalline/Certified ACS), Fisher Chemical™

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
IUPAC Name 2-hydroxy-5-sulfobenzoic acid; bis(methane)
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
5

Benzyl Alcohol (Certified ACS), Fisher Chemical™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
6

Benzyl Alcohol (NF), Fisher Chemical™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
7

3-Phenoxybenzoyl chloride, ≥97%, Thermo Scientific™

CAS: 3586-15-0 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.663 MDL Number: MFCD03424712 InChI Key: TTZXIWBOKOZOPL-UHFFFAOYSA-N Synonym: benzoyl chloride, 3-phenoxy,m-phenoxybenzoyl chloride,m-phenoxy benzoylchoride,3-phenoxy benzoyl chloride,3-phenoxy-benzoyl chloride,benzoyl chloride,3-phenoxy PubChem CID: 2760341 IUPAC Name: 3-phenoxybenzoyl chloride SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl

PubChem CID 2760341
CAS 3586-15-0
Molecular Weight (g/mol) 232.663
MDL Number MFCD03424712
SMILES C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl
Synonym benzoyl chloride, 3-phenoxy,m-phenoxybenzoyl chloride,m-phenoxy benzoylchoride,3-phenoxy benzoyl chloride,3-phenoxy-benzoyl chloride,benzoyl chloride,3-phenoxy
IUPAC Name 3-phenoxybenzoyl chloride
InChI Key TTZXIWBOKOZOPL-UHFFFAOYSA-N
Molecular Formula C13H9ClO2
8
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p-Dimethylaminobenzaldehyde (Certified ACS), Fisher Chemical™

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

PubChem CID 7479
CAS 100-10-7
Molecular Weight (g/mol) 149.19
MDL Number MFCD00003381
SMILES CN(C)C1=CC=C(C=O)C=C1
Synonym 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name 4-(dimethylamino)benzaldehyde
InChI Key BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula C9H11NO
9
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Benzoyl Peroxide (Wet/Certified),75%(weight), 25% water, Fisher Chemical™

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

PubChem CID 7187
CAS 94-36-0
Molecular Weight (g/mol) 242.23
ChEBI CHEBI:82405
MDL Number MFCD00003071
SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Synonym benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
IUPAC Name benzoyl benzenecarboperoxoate
InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula C14H10O4
10
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Sodium Salicylate (Powder/Certified), Fisher Chemical

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
11
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Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
12

2-Amino-4-methylbenzamide, Thermo Scientific™

CAS: 39549-79-6 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00221474 InChI Key: RUHKZVAPXHIWJH-UHFFFAOYSA-N Synonym: 2-amino-4-methyl-benzamide,benzamide, 2-amino-4-methyl,pubchem4030,2-azanyl-4-methyl-benzamide,benzamide,2-amino-4-methyl,benzamide, 2-amino-4-methyl-9ci PubChem CID: 2801474 IUPAC Name: 2-amino-4-methylbenzamide SMILES: CC1=CC(N)=C(C=C1)C(N)=O

PubChem CID 2801474
CAS 39549-79-6
Molecular Weight (g/mol) 150.18
MDL Number MFCD00221474
SMILES CC1=CC(N)=C(C=C1)C(N)=O
Synonym 2-amino-4-methyl-benzamide,benzamide, 2-amino-4-methyl,pubchem4030,2-azanyl-4-methyl-benzamide,benzamide,2-amino-4-methyl,benzamide, 2-amino-4-methyl-9ci
IUPAC Name 2-amino-4-methylbenzamide
InChI Key RUHKZVAPXHIWJH-UHFFFAOYSA-N
Molecular Formula C8H10N2O
13

Ethyl pentafluorobenzoate, 98%

CAS: 4522-93-4 Molecular Formula: C9H5F5O2 Molecular Weight (g/mol): 240.13 MDL Number: MFCD00039211 InChI Key: DFUDMSIRGGTHGI-UHFFFAOYSA-N Synonym: ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester PubChem CID: 78283 IUPAC Name: ethyl 2,3,4,5,6-pentafluorobenzoate SMILES: CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 78283
CAS 4522-93-4
Molecular Weight (g/mol) 240.13
MDL Number MFCD00039211
SMILES CCOC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
Synonym ethyl pentafluorobenzoate,ethyl perfluorobenzoate,pentafluorobenzoic acid ethyl ester,2,3,4,5,6-pentafluoro-benzoic acid ethyl ester,benzoic acid, pentafluoro-, ethyl ester,ethylpentafluorobenzoate,acmc-1ajj1,rarechem al bi 0017,perfluorobenzoic acid ethyl ester
IUPAC Name ethyl 2,3,4,5,6-pentafluorobenzoate
InChI Key DFUDMSIRGGTHGI-UHFFFAOYSA-N
Molecular Formula C9H5F5O2
14

4-Bromo-2-chlorobenzonitrile, 96%

CAS: 154607-01-9 Molecular Formula: C7H3BrClN Molecular Weight (g/mol): 216.46 MDL Number: MFCD00040883 InChI Key: AYQBMZNSJPVADT-UHFFFAOYSA-N Synonym: 2-chloro-4-bromobenzonitrile,4-bromo-2-chloro-benzonitrile,benzonitrile, 4-bromo-2-chloro,4-bromo-2-chlorobenzenecarbonitrile,pubchem12801,intermediates-zcf02177,acmc-209db5,ksc497g8d PubChem CID: 7010420 IUPAC Name: 4-bromo-2-chlorobenzonitrile SMILES: ClC1=C(C=CC(Br)=C1)C#N

PubChem CID 7010420
CAS 154607-01-9
Molecular Weight (g/mol) 216.46
MDL Number MFCD00040883
SMILES ClC1=C(C=CC(Br)=C1)C#N
Synonym 2-chloro-4-bromobenzonitrile,4-bromo-2-chloro-benzonitrile,benzonitrile, 4-bromo-2-chloro,4-bromo-2-chlorobenzenecarbonitrile,pubchem12801,intermediates-zcf02177,acmc-209db5,ksc497g8d
IUPAC Name 4-bromo-2-chlorobenzonitrile
InChI Key AYQBMZNSJPVADT-UHFFFAOYSA-N
Molecular Formula C7H3BrClN
15

2-Nitro-4-(trifluoromethyl)phenol, 98%

CAS: 400-99-7 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00009791 InChI Key: XZEDEVRSUANQEM-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl phenol,4-hydroxy-3-nitrobenzotrifluoride,phenol, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethylphenol,2-nitro-alpha,alpha,alpha-trifluoro-p-cresol,4-hydroxy-3-nitrobenzotrifluoroide,p-cresol, 2-nitro-alpha,alpha,alpha-trifluoro,2-nitro-4-trifluoromethyl-phenol,pubchem4150,4-06-00-02150 beilstein handbook reference PubChem CID: 9816 IUPAC Name: 2-nitro-4-(trifluoromethyl)phenol SMILES: OC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

PubChem CID 9816
CAS 400-99-7
Molecular Weight (g/mol) 207.11
MDL Number MFCD00009791
SMILES OC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F
Synonym 2-nitro-4-trifluoromethyl phenol,4-hydroxy-3-nitrobenzotrifluoride,phenol, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethylphenol,2-nitro-alpha,alpha,alpha-trifluoro-p-cresol,4-hydroxy-3-nitrobenzotrifluoroide,p-cresol, 2-nitro-alpha,alpha,alpha-trifluoro,2-nitro-4-trifluoromethyl-phenol,pubchem4150,4-06-00-02150 beilstein handbook reference
IUPAC Name 2-nitro-4-(trifluoromethyl)phenol
InChI Key XZEDEVRSUANQEM-UHFFFAOYSA-N
Molecular Formula C7H4F3NO3