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tert-Butyl chlorothioformate

tert-Butyl chlorothioformate structure

CAS No:
13889-95-7
Formula:
C5H9ClOS
Chemical Name:
tert-Butyl chlorothioformate
Synonyms:
Carbonochloridothioic acid,S-(1,1-dimethylethyl) ester;Formic acid,chlorothio-,S-tert-butyl ester;tert-Butyl chlorothioformate;S-tert-Butyl chlorothioformate;(tert-Butylsulfanyl)(chloro)methanone;1082068-77-6
Categories:
Chemical Reagents > Organic Reagents

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tert-Butyl chlorothioformate Basic Attributes

Molecular Weight：

152.64236

Exact Mass：

152.64

DSSTox ID：

DTXSID40499494

HScode：

2930909090

Characteristics

PSA：

42.4

XLogP3：

2.87690

Density：

0.967 g/mL at 25 °C

Boiling Point：

48-49 °C @ Press: 14 Torr

Flash Point：

34 °C

Refractive Index：

n20/D 1.4727

Safety Information

Transport codes：

UN29243/PG3

wgk germany：

hazard class code：

10-35

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H226-H314

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:152.64
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.0062638
Monoisotopic Mass:152.0062638
Topological Polar Surface Area:42.4
Heavy Atom Count:8
Complexity:95.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-Butyl chlorothioformate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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tert-Butyl chlorothioformate

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