CAS 948594-94-3|(S)-4-Chloro-1,2-epoxybutane|(2S)-2-(2-chloroethyl)oxirane|(S)-4-氯-1,2-环氧丁烷|(2S)-2-(2-chloroethyl)oxirane

Molecular Formula

C₄H₇ClO

Molecular Mass

106.55078

Exact Mass

106.01854252

InChI

InChI=1S/C4H7ClO/c5-2-1-4-3-6-4/h4H,1-3H2/t4-/m0/s1

InChIKey

NKWKILGNDJEIOC-BYPYZUCNSA-N

Canonic Smiles

ClCC[C@H]1CO1

Isomeric Smiles

C1[C@@H](O1)CCCl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.73724115

LogD (pH = 7.4)

0.73724115

Log P

0.73724115

Molar Refractivity

24.9224

Polarizability

9.936612

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

(S)-4-Chloro-1,2-epoxybutane(S)-4-氯-1,2-环氧丁烷

IUPAC name

(2S)-2-(2-chloroethyl)oxirane

IUPAC Traditional name

(2S)-2-(2-chloroethyl)oxirane

MDL Number

CAS Number

PubChem SID

PubChem CID

GHS Pictograms

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

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

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

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

European Hazard Symbols

Corrosive (C)

RID/ADR

UN 3286 3/PG 2

German water hazard class

Personal Protective Equipment

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

Hazard Class

GHS Hazard statements

H226-H301-H312-H314-H332-H351

GHS Precautionary statements

P280-P301+P310-P305+P351+P338-P310

GHS Signal Word

Danger

UN Number

3286

Packing Group

MSDS Link

Download link

Risk Statements

10-20/21/22-34-40

Safety Statements

26-36/37/39-45

Product Information

Empirical Formula (Hill Notation)

C4H7ClO

Purity

≥98.0% (sum of enantiomers, GC)

Optical Purity

enantiomeric ratio: ≥98.5:1.5 (GC)

Physical Property

Flash Point

<55 °C

<131 °F

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Commercial Catalog

Academic Data

Synonyms

(S)-4-Chloro-1,2-epoxybutane(S)-4-氯-1,2-环氧丁烷

IUPAC name

(2S)-2-(2-chloroethyl)oxirane

IUPAC Traditional name

(2S)-2-(2-chloroethyl)oxirane

MDL Number

CAS Number

PubChem SID

PubChem CID

Safety Information

Product Information

Empirical Formula (Hill Notation)

C4H7ClO

Purity

≥98.0% (sum of enantiomers, GC)

Optical Purity

enantiomeric ratio: ≥98.5:1.5 (GC)

Physical Property

Flash Point

<55 °C

<131 °F

No Data Available

Click here to submit data

Molecule

ID:135627