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3-Phenyl-1-propyne

3-Phenyl-1-propyne structure

CAS No:
10147-11-2
Formula:
C9H8
Chemical Name:
3-Phenyl-1-propyne
Synonyms:
Propargylbenzene; prop-2-ynylbenzene; Benzylacetylene;
Categories:
Chemical Reagents > Organic Reagents

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3-Phenyl-1-propyne Basic Attributes

Molecular Weight：

116.16000

Exact Mass：

116.062600255 g/mol

UNII：

EU32H24A0A

DSSTox ID：

DTXSID00143941

HScode：

2902909090

Characteristics

PSA：

0.00000

XLogP3：

1.86230

Density：

0.934g/mL

Boiling Point：

75ºC

Flash Point：

126ºF

Refractive Index：

n20/D 1.526(lit.)

Storage Conditions：

Flammables area

Vapor Pressure：

1.2mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3295 3/PG 3

Marks：

GHS Classification：

|Warning|H226 (91.11%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:116.16
XLogP3:2.9
Rotatable Bond Count:1
Exact Mass:116.062600255
Monoisotopic Mass:116.062600255
Heavy Atom Count:9
Complexity:109
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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