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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 (20,669)
Aminobenzoic acids and derivatives (10,476)
Phenylpropenes (2,955)
Methoxybenzoic acids and derivatives (1,789)
Phenylcarbamic acid esters (1,368)
Nitrobenzoic acids and derivatives (1,012)
Benzoyl derivatives (716)
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Benzoic acid esters (600)
Phenoxy compounds (533)
Trifluoromethylbenzenes (502)
Sulfanylbenzoic acids and derivatives (485)
Phthalic acid and derivatives (397)
Benzoic acids (327)
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Phenoxyacetic acid derivatives (218)
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Phenylacetaldehydes (3)
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Phenylpropylamines (2)
1 2-Dihalobenzenes (1)
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1 – 15 of 42,754 results
1
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m-Anisic acid, 98%

CAS: 586-38-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002499 InChI Key: XHQZJYCNDZAGLW-UHFFFAOYSA-N Synonym: m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 PubChem CID: 11461 IUPAC Name: 3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1)C(=O)O

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PubChem CID 11461
CAS 586-38-9
Molecular Weight (g/mol) 152.15
MDL Number MFCD00002499
SMILES COC1=CC=CC(=C1)C(=O)O
Synonym m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425
IUPAC Name 3-methoxybenzoic acid
InChI Key XHQZJYCNDZAGLW-UHFFFAOYSA-N
Molecular Formula C8H8O3
2
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2-Fluorophenylboronic acid, 98%

CAS: 1993-03-9 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00674013 InChI Key: QCSLIRFWJPOENV-UHFFFAOYSA-N Synonym: 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro PubChem CID: 2734354 IUPAC Name: (2-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1F

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PubChem CID 2734354
CAS 1993-03-9
Molecular Weight (g/mol) 139.92
MDL Number MFCD00674013
SMILES OB(O)C1=CC=CC=C1F
Synonym 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro
IUPAC Name (2-fluorophenyl)boronic acid
InChI Key QCSLIRFWJPOENV-UHFFFAOYSA-N
Molecular Formula C6H6BFO2
3
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4-Phenoxybenzoic acid, 98%

CAS: 2215-77-2 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002539 InChI Key: RYAQFHLUEMJOMF-UHFFFAOYSA-N Synonym: p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh PubChem CID: 75182 ChEBI: CHEBI:72632 IUPAC Name: 4-phenoxybenzoic acid SMILES: OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1

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PubChem CID 75182
CAS 2215-77-2
Molecular Weight (g/mol) 214.22
ChEBI CHEBI:72632
MDL Number MFCD00002539
SMILES OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
Synonym p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh
IUPAC Name 4-phenoxybenzoic acid
InChI Key RYAQFHLUEMJOMF-UHFFFAOYSA-N
Molecular Formula C13H10O3
4
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4-Fluorophenylacetic acid, 98%

CAS: 405-50-5 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004343 InChI Key: MGKPFALCNDRSQD-UHFFFAOYSA-N Synonym: 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid PubChem CID: 9837 IUPAC Name: 2-(4-fluorophenyl)acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)F

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PubChem CID 9837
CAS 405-50-5
Molecular Weight (g/mol) 154.14
MDL Number MFCD00004343
SMILES C1=CC(=CC=C1CC(=O)O)F
Synonym 4-fluorophenylacetic acid,2-4-fluorophenyl acetic acid,p-fluorophenylacetic acid,4-fluorophenyl acetic acid,benzeneacetic acid, 4-fluoro,4-fluorobenzeneacetic acid,p-fluorophenyl acetic acid,acetic acid, p-fluorophenyl,unii-s5yjv7caz1,4-fluoro-phenyl-acetic acid
IUPAC Name 2-(4-fluorophenyl)acetic acid
InChI Key MGKPFALCNDRSQD-UHFFFAOYSA-N
Molecular Formula C8H7FO2
5
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alpha-Bromo-p-toluic acid, 97%

CAS: 6232-88-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002567 InChI Key: CQQSQBRPAJSTFB-UHFFFAOYSA-N Synonym: 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid PubChem CID: 22599 IUPAC Name: 4-(bromomethyl)benzoic acid SMILES: C1=CC(=CC=C1CBr)C(=O)O

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PubChem CID 22599
CAS 6232-88-8
Molecular Weight (g/mol) 215.05
MDL Number MFCD00002567
SMILES C1=CC(=CC=C1CBr)C(=O)O
Synonym 4-bromomethyl benzoic acid,alpha-bromo-p-toluic acid,benzoic acid, 4-bromomethyl,p-bromomethyl benzoic acid,4-carboxybenzyl bromide,4-bromomethyl-benzoic acid,a-bromo-p-toluic acid,p-carboxybenzyl bromide,p-bromomethylbenzoic acid
IUPAC Name 4-(bromomethyl)benzoic acid
InChI Key CQQSQBRPAJSTFB-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
6
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2-Bromo-4,5-difluorobenzoic acid, 97%

CAS: 64695-84-7 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD04973422 InChI Key: DGCBGBZYTNTZJH-UHFFFAOYSA-N Synonym: 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid PubChem CID: 2782789 IUPAC Name: 2-bromo-4,5-difluorobenzoic acid SMILES: C1=C(C(=CC(=C1F)F)Br)C(=O)O

EDGE
PubChem CID 2782789
CAS 64695-84-7
Molecular Weight (g/mol) 237
MDL Number MFCD04973422
SMILES C1=C(C(=CC(=C1F)F)Br)C(=O)O
Synonym 2-bromo-4,5-difluorobenzoicacid,2-bromo-4,5-difluoro-benzoic acid,benzoic acid, 2-bromo-4,5-difluoro,pubchem4991,acmc-209nnq,ksc495k3l,benzoic acid,2-bromo-4,5-difluoro,2-bromo-4,5-difluorobenzoic acid,2-bromanyl-4,5-bis fluoranyl benzoic acid
IUPAC Name 2-bromo-4,5-difluorobenzoic acid
InChI Key DGCBGBZYTNTZJH-UHFFFAOYSA-N
Molecular Formula C7H3BrF2O2
7

Hippuric Acid Analytical Standard, MilliporeSigma™ Supelco™

Hippuric acid, the glycine conjugate of benzoic acid, is formed via a biotransformation process. From scientific literature, it is reported to be found as an excretory product in urine. Hippuric acid is also known to be catabolically synthesized from benzene-type aromatic compounds.

Percent Purity ≥97.5% (GC)
CAS 495-69-2
MDL Number MFCD00002692
UN Number NONH for all modes of transport
Synonym N-Benzoylglycine; Benzoylaminoacetic Acid
RTECS Number MR8150000
Grade Analytical Standard
Shelf Life Limited shelf life, expiry date on the label
Molecular Formula C9H9NO3
Formula Weight 179.17
Melting Point 187°C to 191°C (literature)
8

Carnosic Acid, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

9

3-(N-Ethyl-3-methylanilino)-2-hydroxypropanesulfonic acid sodium salt, Spectrophotometric Det. of H2O2, MilliporeSigma™ Supelco™

MDL Number: MFCD00040641 Synonym: 3-(N-Ethyl-m-toluidino)-2-hydroxypropanesulfonic acid sodium salt; N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine sodium salt; Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate; Sodium N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine; TOOS

MDL Number MFCD00040641
Synonym 3-(N-Ethyl-m-toluidino)-2-hydroxypropanesulfonic acid sodium salt; N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine sodium salt; Sodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropanesulfonate; Sodium N-ethyl-N-(2-hydroxy-3-sulfopropyl)-m-toluidine; TOOS
10

3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

Linear Formula ClC6H4CO3H
Molecular Weight (g/mol) 172.56
ChEBI CHEBI:52091
CAS Min % 25.0
InChI Key NHQDETIJWKXCTC-UHFFFAOYSA-N
Density 0.5600g/mL
PubChem CID 70297
Name Note 70 - 75%
Percent Purity 70-75%
Fieser 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number SD9470000
Formula Weight 172.57
Melting Point 92.0°C to 94.0°C
CAS Max % 30.0
Color White
Physical Form Moist Powder
SMILES OOC(=O)C1=CC=CC(Cl)=C1
Merck Index 15,2154
Assay Percent Range di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
Keep/Store away from clothing/ combustible materials.
IF SWALLOWED: rin
MDL Number MFCD00002127
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Heating may cause a fire.
Solubility Information Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1 GHS Signal Word: Danger
Synonym 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA TSCA
IUPAC Name 3-chlorobenzenecarboperoxoic acid
Beilstein 09,IV,972
Molecular Formula C7H5ClO3
EINECS Number 213-322-3
Specific Gravity 0.56
11
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Thermo Scientific Chemicals Rosolic acid

CAS: 603-45-2 Molecular Formula: C19H14O3 Molecular Weight (g/mol): 290.32 MDL Number: MFCD00001624 InChI Key: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonym: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone PubChem CID: 5100 ChEBI: CHEBI:34544 IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1

PubChem CID 5100
CAS 603-45-2
Molecular Weight (g/mol) 290.32
ChEBI CHEBI:34544
MDL Number MFCD00001624
SMILES OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Synonym aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
IUPAC Name 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key FYEHYMARPSSOBO-UHFFFAOYSA-N
Molecular Formula C19H14O3
12
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Aurintricarboxylic acid

CAS: 4431-00-9 Molecular Formula: C22H16O9 Molecular Weight (g/mol): 424.36 MDL Number: MFCD00011663 InChI Key: YETAHXYTPZCNBG-UHFFFAOYNA-N Synonym: aurintricarboxylic acid,aluminon free acid,aluminon,5,5'-3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene di salicylic acid,benzoic acid, 5-3-carboxy-4-hydroxyphenyl 3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene methyl-2-hydroxy,1,4-cyclohexadiene-1-carboxylic acid, 3-bis 3-carboxy-4-hydroxyphenyl methylene-6-oxo,3,3'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 6-hydroxybenzoic acid,5,5'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 2-hydroxybenzoic acid PubChem CID: 2259 ChEBI: CHEBI:87397 IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dien-1-yl)methyl]-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(C=CC1=O)C(C1=CC=C(O)C(=C1)C(O)=O)C1=CC=C(O)C(=C1)C(O)=O

PubChem CID 2259
CAS 4431-00-9
Molecular Weight (g/mol) 424.36
ChEBI CHEBI:87397
MDL Number MFCD00011663
SMILES OC(=O)C1=CC(C=CC1=O)C(C1=CC=C(O)C(=C1)C(O)=O)C1=CC=C(O)C(=C1)C(O)=O
Synonym aurintricarboxylic acid,aluminon free acid,aluminon,5,5'-3-carboxy-4-oxocyclohexa-2,5-dienylidenemethylene di salicylic acid,benzoic acid, 5-3-carboxy-4-hydroxyphenyl 3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene methyl-2-hydroxy,1,4-cyclohexadiene-1-carboxylic acid, 3-bis 3-carboxy-4-hydroxyphenyl methylene-6-oxo,3,3'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 6-hydroxybenzoic acid,5,5'-3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene methylene bis 2-hydroxybenzoic acid
IUPAC Name 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dien-1-yl)methyl]-2-hydroxybenzoic acid
InChI Key YETAHXYTPZCNBG-UHFFFAOYNA-N
Molecular Formula C22H16O9
13

4-(Dimethylamino)benzaldehyde, MilliporeSigma™

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
14
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Rosolic acid

CAS: 603-45-2 Molecular Formula: C19H14O3 Molecular Weight (g/mol): 290.32 MDL Number: MFCD00001624 InChI Key: FYEHYMARPSSOBO-UHFFFAOYSA-N Synonym: aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone PubChem CID: 5100 ChEBI: CHEBI:34544 IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1

PubChem CID 5100
CAS 603-45-2
Molecular Weight (g/mol) 290.32
ChEBI CHEBI:34544
MDL Number MFCD00001624
SMILES OC1=CC=C(C=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
Synonym aurin,rosolic acid,corallin,p-rosolic acid,aurine,spirit aurine,corallin spirit soluble,4,4'-dihydroxyfuchsone,aurin no. 555,4-bis 4-hydroxyphenyl methylene cyclohexa-2,5-dienone
IUPAC Name 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key FYEHYMARPSSOBO-UHFFFAOYSA-N
Molecular Formula C19H14O3
15

BisphenolA, ≥99%, MilliporeSigma™ Supelco™

MDL Number: MFCD00002366 Synonym: 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol

MDL Number MFCD00002366
Synonym 2,2-Bis(4-hydroxyphenyl)propane; 4,4 ′-Isopropylidenediphenol