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4-Bromophenylacetylene

4-Bromophenylacetylene structure

CAS No:
766-96-1
Formula:
C8H5Br
Chemical Name:
4-Bromophenylacetylene
Synonyms:
4-BROMOPHENYLACETYLENE;(4-BroMphenyl)acetylene;4'-BROMOPHENYL ACETYLENE;1-ETHYNYL-4-BROMOBENZENE;1-BROMO-4-ETHYNYLBENZENE;(4-BROMPHENYL)-ACETYLEN 97%;Benzene, 1-broMo-4-ethynyl-;(4-Bromophenyl)acetylene,97%;1-Bromo-4-ethynylbenzene 97%;(4-BroMphenyl)acetylene, 95+%
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Off-White Solid

4-Bromophenylacetylene Basic Attributes

Molecular Weight：

181.03

Exact Mass：

179.957458

BRN：

1209726

EC Number：

-0

DSSTox ID：

DTXSID20227419

HScode：

2903999090

Characteristics

PSA：

XLogP3：

2.9

Appearance：

White to yellow Powder, Crystalline Powder or Solid

Density：

1.5±0.1 g/cm3

Melting Point：

64-67 °C(lit.)

Boiling Point：

88-90°C16mm

Flash Point：

88-90°C/16mm

Refractive Index：

1.605

Water Solubility：

soluble in chloroform, diethyl ether and ethanol.

Storage Conditions：

-20°C Freezer

Safety Information

Hazard category：

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

22-51/53

safety instructions：

Marks：

Xn,N

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (87.23%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromophenylacetylene Use and Manufacturing

Starting material for heterocyclotriynes, second-order nonlinear optical materials, and unsymmetrical 1,4-diarylbutadiynes

Computed Properties

Molecular Weight:181.03
XLogP3:2.9
Rotatable Bond Count:1
Exact Mass:179.95746
Monoisotopic Mass:179.95746
Heavy Atom Count:9
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Bromophenylacetylene

CAS No.: 766-96-1

Content: 99.00%

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