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1-Bromo-3-ethynylbenzene

1-Bromo-3-ethynylbenzene structure

CAS No:
766-81-4
Formula:
C8H5Br
Chemical Name:
1-Bromo-3-ethynylbenzene
Synonyms:
Benzene,1-bromo-3-ethynyl-;1-Bromo-3-ethynylbenzene;m-Bromophenylacetylene;(3-Bromophenyl)acetylene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Bromo-3-ethynylbenzene Basic Attributes

Molecular Weight：

181.03

Exact Mass：

181.03

DSSTox ID：

DTXSID10467201

HScode：

2903999090

Characteristics

PSA：

XLogP3：

2.9

Density：

1.5±0.1 g/cm3

Boiling Point：

87 °C @ Press: 15 Torr

Flash Point：

85.7±17.0 °C

Refractive Index：

1.605

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromo-3-ethynylbenzene Use and Manufacturing

The intermediate 1-1 (166 g, 655.6 mmol) was put and dissolved in methanol (1000 mE) in a reactor, and potassium carbonate (90.6 g, 655.6 mmol) was slowly added thereto in a dropwise fashion. The mixture is stirred for about 30 minutes and filtered. Afier removing all the solUsvents, the reactant was dissolved in ethylacetate and twice washed with distilled watet Then, an intermediate 1-2 (116 g, 98percent) was obtained by removing the solvent again.Step 1) 3-Bromophenylacetylene

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:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Bromophenyl acetylene

CAS No.: 766-81-4

Content: 99.00%

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Henan Lihao Chem Plant Limited Contact Supplier

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3-Bromophenylacetylene 99% white powder kanbei

CAS No.: 766-81-4

Grade: Pharmaceutical Grade

Content: 99%

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