CAS 541-73-1|m-DICHLOROBENZENE|3-dichlorobenzene|1,3-dichlorobenzene|1,3-二氯苯|1,3-Dichlorobenzene|1,3-Dichlorobenzene solution|1,3-二氯苯溶液|1,3-Dichlorobenzene|m-Dichlorobenzene

InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H

ZPQOPVIELGIULI-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

3.1813352

LogD (pH = 7.4)

3.1813352

Log P

3.1813352

Molar Refractivity

35.6676

Polarizability

14.078041

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

m-DICHLOROBENZENE1,3-二氯苯1,3-Dichlorobenzene1,3-Dichlorobenzene solution1,3-二氯苯溶液1,3-Dichlorobenzenem-Dichlorobenzene

IUPAC Traditional name

Click here to submit data

113808

Packaging
100, 500 g in glass bottle

36708

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

05214121

MP Biomedicals Rare Chemical collection

• For coupling with aryl Grignards in the synthesis of m-terphenyls, see: Synthesis, 1455 (1996).

• Lithiation with n-BuLi at low temperature gives 2,6-dichlorophenyllithium, which reacts with electrophiles in good yield: Synthesis, 803 (1988).

Names and Identifiers

Synonyms

m-DICHLOROBENZENE1,3-二氯苯1,3-Dichlorobenzene1,3-Dichlorobenzene solution1,3-二氯苯溶液1,3-Dichlorobenzenem-Dichlorobenzene

IUPAC Traditional name

3-dichlorobenzene

IUPAC name

1,3-dichlorobenzene

Registration numbers

EC Number

208-792-1200-659-6

CAS Number

541-73-1

PubChem SID

248471491620959332486239224861664248719912486505124872044

MDL Number

Beilstein Number

PubChem CID

Merck Index

Molecule Details

113808

Packaging
100, 500 g in glass bottle

36708

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

MP Biomedicals

05214121

MP Biomedicals Rare Chemical collection

References

PubChem Literature

From Data Sources

• For coupling with aryl Grignards in the synthesis of m-terphenyls, see: Synthesis, 1455 (1996).

• Lithiation with n-BuLi at low temperature gives 2,6-dichlorophenyllithium, which reacts with electrophiles in good yield: Synthesis, 803 (1988).

Bioactivity

PubChem BioAssay

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

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

H302-H227-H411

-25--22 °C(lit.)

Vapor Pressure

5 mmHg ( 38.8 °C)

Refractive Index

n20/D 1.546(lit.)

n20/D 1.546

1.5460

puriss.

purum

PESTANAL®, analytical standard

analytical standard

Impurities

~0.5% 1,2-dichlorobenzene

~1.0% 1,4-dichlorobenzene

Packaging

ampule of 1 mL

ampule of 5000 mg

Concentration

200 μg/mL in methanol

5000 μg/mL in methanol

Personal Protective Equipment

German water hazard class

GHS Precautionary statements

GHS Hazard statements

Certificate of Analysis

Empirical Formula (Hill Notation)

Molecule

ID:110209