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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.
Hydroxybenzoic Acid Derivatives (102)
Fluorobenzenes (24)
Benzyl Derivatives (21)
Trifluoromethylbenzenes (14)
Aminobenzoic acids and derivatives (12)
Benzoyl derivatives (10)
Phenoxy compounds (7)
Phenylpropanes (6)
Bromobenzenes (5)
Benzenesulfonic acids and derivatives (3)
Diphenylmethanes (3)
Phenylcarbamic acid esters (3)
Phenylphosphines and derivatives (3)
Phthalic acid and derivatives (3)
Styrenes (3)
Anilides (2)
Benzoic acid esters (2)
Cumenes (2)
Nitrobenzenes (2)
Aminotoluenes (1)
Benzenesulfonyl compounds (1)
Diphenylethers (1)
Methoxybenzoic acids and derivatives (1)
Nitrobenzoic acids and derivatives (1)
Nitrotoluenes (1)

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1 – 15 of 222 results
1

Sulfosalicylic Acid, Dihydrate, Crystal, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™

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 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
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
2

p-(Dimethylamino)benzaldehyde, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™

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
3

Benzyl Alcohol, BAKER ANALYZED™ Reagent, J.T. Baker™

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
4

Pentafluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2775922
CAS 1582-24-7
MDL Number MFCD01074663
Color White
Physical Form Crystalline Powder
TSCA No
IUPAC Name (2,3,4,5,6-pentafluorophenyl)boronic acid
InChI Key VASOMTXTRMYSKD-UHFFFAOYSA-N
Molecular Formula C6H2BF5O2
Formula Weight 211.88
Melting Point 290°C
5

3-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2733986
CAS 768-35-4
Molecular Weight (g/mol) 139.92
MDL Number MFCD00236042
Physical Form Crystalline Powder
TSCA No
IUPAC Name (3-fluorophenyl)boronic acid
InChI Key KNXQDJCZSVHEIW-UHFFFAOYSA-N
Molecular Formula C6H6BFO2
Formula Weight 139.92
6

4-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 285645
CAS 1765-93-1
Molecular Weight (g/mol) 139.92
ChEBI CHEBI:48661
MDL Number MFCD00039136
Physical Form Crystalline Powder
TSCA No
IUPAC Name (4-fluorophenyl)boronic acid
InChI Key LBUNNMJLXWQQBY-UHFFFAOYSA-N
Molecular Formula C6H6BFO2
Formula Weight 139.92
Melting Point 265°C
7

2-(Hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 4374262
CAS 87199-14-2
MDL Number MFCD02258966
Color White-Yellow
Physical Form Crystalline Powder
TSCA No
IUPAC Name [2-(hydroxymethyl)phenyl]boronic acid
InChI Key AFHOBSCDNXGFMO-UHFFFAOYSA-N
Molecular Formula C7H9BO3
Formula Weight 151.96
8

3-Isopropylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2773478
CAS 216019-28-2
MDL Number MFCD01074634
Color White
Physical Form Crystalline Powder
TSCA No
InChI Key QSWLFBMVIGQONC-UHFFFAOYSA-N
Molecular Formula C9H13BO2
Formula Weight 164.01
9

3-Acetamidophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 157274
CAS 78887-39-5
Molecular Weight (g/mol) 178.982
MDL Number MFCD00236013
Color Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC=C1)NC(=O)C)(O)O
TSCA No
IUPAC Name (3-acetamidophenyl)boronic acid
InChI Key IBTSWKLSEOGJGJ-UHFFFAOYSA-N
Molecular Formula C8H10BNO3
Formula Weight 178.98
Melting Point 140°C
10

4-Bromophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 79599
CAS 5467-74-3
MDL Number MFCD00002104
Physical Form Crystalline Powder
SMILES B(C1=CC=C(C=C1)Br)(O)O
Synonym 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid
TSCA No
RTECS Number CY8650000
IUPAC Name (4-bromophenyl)boronic acid
InChI Key QBLFZIBJXUQVRF-UHFFFAOYSA-N
Molecular Formula C6H6BBrO2
Formula Weight 200.83
Melting Point 292°C
11

3,5-Dibromophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2734689
CAS 117695-55-3
Molecular Weight (g/mol) 279.722
MDL Number MFCD01075725
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC(=C1)Br)Br)(O)O
TSCA No
IUPAC Name (3,5-dibromophenyl)boronic acid
InChI Key WQBLCGDZYFKINX-UHFFFAOYSA-N
Molecular Formula C6H5BBr2O2
Formula Weight 279.72
12

3-Formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

Molecular Weight (g/mol) 149.94
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC=C1)C=O)(O)O
InChI Key HJBGZJMKTOMQRR-UHFFFAOYSA-N
PubChem CID 2734356
CAS 87199-16-4
MDL Number MFCD00161356
Synonym 3-formylphenyl boronic acid
TSCA No
IUPAC Name (3-formylphenyl)boronic acid
Molecular Formula C7H7BO3
Formula Weight 149.94
Melting Point 113°C
13

4-Phenoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2734377
CAS 51067-38-0
MDL Number MFCD00093312
Physical Form Crystalline Powder
TSCA No
IUPAC Name (4-phenoxyphenyl)boronic acid
InChI Key KFXUHRXGLWUOJT-UHFFFAOYSA-N
Molecular Formula C12H11BO3
Formula Weight 214.03
Melting Point 115°C
14

2,6-Difluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2734336
CAS 162101-25-9
Molecular Weight (g/mol) 157.911
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=C(C=CC=C1F)F)(O)O
Synonym 2,6-difluorobenzeneboronic acid,2,6-difluorophenyl boronic acid,2,6-difluorophenyl boranediol,boronic acid, 2,6-difluorophenyl,2,6-difluorphenylboronic acid
TSCA No
IUPAC Name (2,6-difluorophenyl)boronic acid
InChI Key DBZAICSEFBVFHL-UHFFFAOYSA-N
Molecular Formula C6H5BF2O2
Formula Weight 157.91
Melting Point 149°C
15

2-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2734354
CAS 1993-03-9
Molecular Weight (g/mol) 139.92
MDL Number MFCD00674013
Physical Form Crystalline Powder
SMILES B(C1=CC=CC=C1F)(O)O
Synonym 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl
TSCA No
IUPAC Name (2-fluorophenyl)boronic acid
InChI Key QCSLIRFWJPOENV-UHFFFAOYSA-N
Molecular Formula C6H6BFO2
Formula Weight 139.92
Melting Point 110°C