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3-Butyn-1-yl carbonochloridate

3-Butyn-1-yl carbonochloridate structure

CAS No:
190774-49-3
Formula:
C5H5ClO2
Chemical Name:
3-Butyn-1-yl carbonochloridate
Synonyms:
Carbonochloridic acid,3-butyn-1-yl ester;Carbonochloridic acid,3-butynyl ester;3-Butyn-1-yl carbonochloridate;3-Butyn-1-yl chloroformate;3-Butynyl chloroformate

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3-Butyn-1-yl carbonochloridate Basic Attributes

Molecular Weight：

132.546

Exact Mass：

132.54

DSSTox ID：

DTXSID80398957

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

1.38510

Density：

1.166 g/mL at 25ºC(lit.)

Boiling Point：

149 °C(lit.)

Flash Point：

135 °F

Refractive Index：

n20/D 1.443(lit.)

Vapor Pressure：

1.78 psi ( 20 °C)

Safety Information

Transport codes：

UN 3390 6.1/PG 1

wgk germany：

hazard class code：

23/24/25-34

safety instructions：

26-27-36/37/39-45

Marks：

T,C

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, 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:132.54
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:131.9978071
Monoisotopic Mass:131.9978071
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Butyn-1-yl carbonochloridate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

3-Butyn-1-yl carbonochloridate

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