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(+)-Epichlorohydrin

(+)-Epichlorohydrin structure

CAS No:
67843-74-7
Formula:
C3H5ClO
Chemical Name:
(+)-Epichlorohydrin
Synonyms:
Oxirane,2-(chloromethyl)-,(2S)-;Oxirane,(chloromethyl)-,(S)-;Oxirane,(chloromethyl)-,(2S)-;(2S)-2-(Chloromethyl)oxirane;(S)-Epichlorohydrin;(S)-(+)-Epichlorohydrin;(S)-1-Chloro-2,3-epoxypropane;(S)-(Chloromethyl)oxirane;(+)-Epichlorohydrin;2(S)-Epichlorohydrin;(S)-Epichlorhydrin;(+)-2-(Chloromethyl)oxirane;(S)-2-Chloromethyloxirane;(2S)-2-(Chloromethyl)oxirane
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

Colorless to light yellow liqui

(S)-epichlorohydrin is an epichlorohydrin. It derives from a (R)-1,2-epoxypropane. It is an enantiomer of a (R)-epichlorohydrin.

(+)-Epichlorohydrin Basic Attributes

Molecular Weight：

92.52

Exact Mass：

92.52

BRN：

1420784

EC Number：

203-439-8

UNII：

SCR89B4R6O

DSSTox ID：

DTXSID3045801

HScode：

2910900090

Characteristics

PSA：

12.5

XLogP3：

0.45

Appearance：

Clear colorless to very pale yellow Liquid

Density：

1.2±0.1 g/cm3

Melting Point：

−57 °C(lit.)

Boiling Point：

116 °C

Flash Point：

93 °F

Refractive Index：

1.444

Water Solubility：

H2O: insoluble

Storage Conditions：

2-8°C

Vapor Pressure：

13.8 mm Hg ( 21.1 °C)

Vapor Density：

3.2 (vs air)

Specific rotation：

34 º (589nm, c=1, MeOH)

Explosive limit：

21%

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2023 6.1/PG 2

wgk germany：

hazard class code：

45-10-23/24/25-34-43

safety instructions：

53-45

RTECS Number：

TX4900000

Marks：

Precautionary statement(s)：

P201-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P308 + P313

Hazard Statements：

H226-H301 + H311 + H331-H314-H317-H350

GHS Classification：

|Danger|H226 (98.36%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P281, P284, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P320, P321, P322, P330, P333+P313, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 61 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P281, P284, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P312, P320, P321, P322, P330, P333+P313, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 90 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(+)-Epichlorohydrin Use and Manufacturing

S-enantiomer of Epichlorohydrin, an important industrial chemical, is a bifunctional alkylating agent with the potential to form DNA cross-links. It is used as a solvent for natural and synthetic resins, gums, cellulose esters and ethers, paints, varnishes, nail enamels and lacquers, cement for Celluloid. Also, it is used as stabilizer.

Computed Properties

Molecular Weight:92.52
XLogP3:0.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:92.0028925
Monoisotopic Mass:92.0028925
Topological Polar Surface Area:12.5
Heavy Atom Count:5
Complexity:37.9
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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