CAS 594-37-6|1,2-二氯-2-甲基丙烷|1,2-dichloro-2-methylpropane|1,2-DICHLOROISOBUTANE|1,2-dichloro-2-methylpropane|1,2-Dichloro-2-methylpropane|1,2-Dichloroisobutane|1,2-Dichloro-2-methylpropane

Molecular Formula

C₄H₈Cl₂

Molecular Mass

127.01232

Exact Mass

126.00030562

InChI

InChI=1S/C4H8Cl2/c1-4(2,6)3-5/h3H2,1-2H3

InChIKey

OQPNDCHKFIHPBY-UHFFFAOYSA-N

Canonic Smiles

ClCC(Cl)(C)C

Isomeric Smiles

ClCC(C)(C)Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.1976564

LogD (pH = 7.4)

2.1976564

Log P

2.1976564

Molar Refractivity

29.7126

Polarizability

11.795319

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

117943

Synonyms

1,2-二氯-2-甲基丙烷1,2-DICHLOROISOBUTANE1,2-Dichloro-2-methylpropane1,2-Dichloroisobutane1,2-Dichloro-2-methylpropane

IUPAC name

1,2-dichloro-2-methylpropane

IUPAC Traditional name

1,2-dichloro-2-methylpropane

PubChem SID

162042742

MDL Number

MFCD00000817

Physical Property

Safety Information

Flammable/Toxic/Store at -20°C

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

Product Information

98%

ClC(CH3)2CH2Cl

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Academic Data

PubChem

117943

Synonyms

1,2-二氯-2-甲基丙烷1,2-DICHLOROISOBUTANE1,2-Dichloro-2-methylpropane1,2-Dichloroisobutane1,2-Dichloro-2-methylpropane

IUPAC name

1,2-dichloro-2-methylpropane

IUPAC Traditional name

1,2-dichloro-2-methylpropane

PubChem SID

162042742

MDL Number

MFCD00000817

No Data Available

Click here to submit data

Physical Property

Safety Information

Flammable/Toxic/Store at -20°C

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

Product Information

98%

ClC(CH3)2CH2Cl

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Precautionary statements

P210-P261-P305+P351+P338

Hazard Class

MSDS Link

Download link

RTECS

TX5030000

German water hazard class

European Hazard Symbols

Irritant (Xi)

Flammable (F)

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

UN Number

1992

GHS Signal Word

Danger

Risk Statements

11-36/37/38

RID/ADR

UN 1992 3/PG 2

GHS Hazard statements

H225-H315-H319-H335

Safety Statements

16-26-36/37/39

Packing Group

Molecule

ID:77899