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4-Chlorophenylacetylene

4-Chlorophenylacetylene structure

CAS No:
873-73-4
Formula:
C8H5Cl
Chemical Name:
4-Chlorophenylacetylene
Synonyms:
(4-Chlorophenyl)ethyne;4-CHOROPHENYLACETYLENE;p-Ethynylchlorobenzene;4-CHLOROPHENYLACETYLENE;1-(4-Chlorophenyl)ethyne;4-Ethynyl-1-chlorobenzene;1-CHLORO-4-ETHYNYLBENZENE;4'-CHLOROPHENYL ACETYLENE;(p-Chlorophenyl)acetylene;1-ethynyl-4-chlorobenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

White Crystalline Solid

4-Chlorophenylacetylene Basic Attributes

Molecular Weight：

136.58

Exact Mass：

136.007980

DSSTox ID：

DTXSID90236275

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.2

Appearance：

Yellow to pale brown Crystalline Mass

Density：

1.1±0.1 g/cm3

Melting Point：

45-47 °C(lit.)

Boiling Point：

79-82 °C (23 mmHg)

Flash Point：

10 °C

Refractive Index：

1.564

Water Solubility：

Insoluble in water. soluble in acetone, chloroform, dichloromethane, DMF, DMSO, ethanol, ethyl acetate, hexane, methanol,THF and toluene.

Storage Conditions：

Keep Cold

Safety Information

Packing level：

Ⅱ

Hazard category：

4.1

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

36/37/38-11

safety instructions：

16-26-36-37/39

Marks：

F,Xi

Hazard note：

Irritant/Keep Cold

Stability/Shelf Life：

Light Sensitive

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H228-H315-H319-H335

GHS Classification：

|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:136.58
XLogP3:3.2
Rotatable Bond Count:1
Exact Mass:136.0079779
Monoisotopic Mass:136.0079779
Heavy Atom Count:9
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 873-73-4

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