CAS 51624-35-2|1-(2-chlorophenyl)(2H5)benzene|2′-Chlorodiphenyl-2,3,4,5,6-d5|1-(2-chlorophenyl)(2H5)benzene|2′-氯联苯-2,3,4,5,6-d5

Molecular Formula

C₁₂H₉Cl

Molecular Mass

188.65286

Exact Mass

188.03927797

InChI

InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

InChIKey

LAXBNTIAOJWAOP-UHFFFAOYSA-N

Canonic Smiles

Clc1ccccc1c1ccccc1

Isomeric Smiles

c1ccc(cc1)c1ccccc1Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.224516

LogD (pH = 7.4)

4.224516

Log P

4.224516

Molar Refractivity

55.999

Polarizability

23.261967

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

2′-Chlorodiphenyl-2,3,4,5,6-d52′-氯联苯-2,3,4,5,6-d5

IUPAC name

1-(2-chlorophenyl)(²H₅)benzene

IUPAC Traditional name

1-(2-chlorophenyl)(²H₅)benzene

CAS Number

MDL Number

PubChem SID

PubChem CID

Product Information

Isotopic Purity

98 atom % D

Mol. Weight

mol wt 193.58 by atom % calculation

Empirical Formula (Hill Notation)

C12D5H4Cl

Physical Property

Mass Shift

M+5

Melting Point

32 °C(lit.)

GHS Signal Word

Warning

GHS Precautionary statements

P273-P501

German water hazard class

GHS Pictograms

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Nature polluting (N)

UN 3432 9/PG 2

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Sigma Aldrich

595659

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

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Commercial Catalog

Academic Data

Synonyms

2′-Chlorodiphenyl-2,3,4,5,6-d52′-氯联苯-2,3,4,5,6-d5

IUPAC name

1-(2-chlorophenyl)(²H₅)benzene

IUPAC Traditional name

1-(2-chlorophenyl)(²H₅)benzene

CAS Number

MDL Number

PubChem SID

PubChem CID

595659

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Product Information

Isotopic Purity

98 atom % D

Mol. Weight

mol wt 193.58 by atom % calculation

Empirical Formula (Hill Notation)

C12D5H4Cl

Physical Property

Mass Shift

M+5

Melting Point

32 °C(lit.)

Safety Information

Molecule

ID:134911