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3-Bromo-3-buten-1-ol

3-Bromo-3-buten-1-ol structure

CAS No:
76334-36-6
Formula:
C4H7BrO
Chemical Name:
3-Bromo-3-buten-1-ol
Synonyms:
3-Bromo-3-buten-1-ol, stabilized with copper;3-BROMO-3-BUTEN-1-OL;3-Bromo-3-buten-1-ol, 97+%;3-BroMo-3-buten-1-ol, 97+% 10GR;3-BroMo-3-buten-1-ol, 97%, stab. with copper;3-broMobut-3-en-1-ol
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Clear brown liquid, darkening on exposure to light

3-Bromo-3-buten-1-ol Basic Attributes

Molecular Weight：

151

Exact Mass：

149.96800

UNII：

T4HW642ALH

DSSTox ID：

DTXSID00336472

HScode：

2905590090

Characteristics

PSA：

20.2

XLogP3：

1.27740

Appearance：

clear brown liquid (clear)

Density：

1.522

Boiling Point：

64-65 °C9 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.499

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-41-43

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H317-H318

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Bromo-3-buten-1-ol Use and Manufacturing

Useful building block in the synthesis of α-methylene lactones,1 tricyclic sesquiterpenes,2,3 and a number of other cyclization4 and alkylation reactions.5

Computed Properties

Molecular Weight:151.00
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:149.96803
Monoisotopic Mass:149.96803
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:51.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes