CAS 4362-40-7|4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane|4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane|4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane|4-Chloromethyl-2,2-dimethyl-1,3-dioxolane|4-氯甲基-2...

Molecular Formula

C₆H₁₁ClO₂

Molecular Mass

150.60334

Exact Mass

150.04475727

InChI

InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3

InChIKey

BNPOTXLWPZOESZ-UHFFFAOYSA-N

Canonic Smiles

ClCC1COC(O1)(C)C

Isomeric Smiles

C1(OC(CO1)CCl)(C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.2180024

LogD (pH = 7.4)

1.2180024

Log P

1.2180024

Molar Refractivity

35.7741

Polarizability

14.329616

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

20374

Synonyms

4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane4-Chloromethyl-2,2-dimethyl-1,3-dioxolane4-氯甲基-2,2-二甲基-1,3-二噁烷4-Chloromethyl-2,2-dimethyl-1,3-dioxolane

IUPAC Traditional name

4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

IUPAC name

4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

MDL Number

MFCD00046097

CAS Number

4362-40-7

PubChem SID

16208747124879130

Product Information

Purity

97%

Empirical Formula (Hill Notation)

C6H11ClO2

GHS Signal Word

Danger

GHS Pictograms

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

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

Hazard Class

UN Number

1992

Packing Group

RID/ADR

UN 1992 3/PG 3

Risk Statements

10-25

GHS Hazard statements

H226-H301

European Hazard Symbols

Toxic (T)

MSDS Link

Download link

RTECS

JH6950000

Safety Statements

16-23-26-36/37/39

German water hazard class

GHS Precautionary statements

P301+P310

Personal Protective Equipment

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

Physical Property

Boiling Point

156-158 °C(lit.)

Density

1.063 g/mL at 25 °C(lit.)

Refractive Index

n20/D 1.434(lit.)

Flash Point

127.4 °F

53 °C

No Data Available

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No Data Available

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Sigma Aldrich

550604

Packaging
25 g in glass bottle

No Data Available

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Academic Data

PubChem

20374

Synonyms

4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane4-Chloromethyl-2,2-dimethyl-1,3-dioxolane4-氯甲基-2,2-二甲基-1,3-二噁烷4-Chloromethyl-2,2-dimethyl-1,3-dioxolane

IUPAC Traditional name

4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

IUPAC name

4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane

MDL Number

MFCD00046097

CAS Number

4362-40-7

PubChem SID

16208747124879130

Product Information

Purity

97%

Empirical Formula (Hill Notation)

C6H11ClO2

Safety Information

Physical Property

Boiling Point

156-158 °C(lit.)

Density

1.063 g/mL at 25 °C(lit.)

Refractive Index

n20/D 1.434(lit.)

Flash Point

127.4 °F

53 °C

Sigma Aldrich

550604

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:100990