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2-Heptyne

2-Heptyne structure

CAS No:
1119-65-9
Formula:
C7H12
Chemical Name:
2-Heptyne
Synonyms:
2-Heptyne;1-Methyl-2-butylacetylene;Butyl(methyl)acetylene;NSC 63874
Categories:
Chemical Reagents > Organic Reagents

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2-Heptyne Basic Attributes

Molecular Weight：

96.17

Exact Mass：

96.17

BRN：

1733563

EC Number：

214-285-6

NSC Number：

63874

DSSTox ID：

DTXSID90149770

HScode：

29012990

Characteristics

PSA：

XLogP3：

3.05

Density：

0.7504 g/cm³ @ Temp: 20 °C

Melting Point：

11.29°C

Boiling Point：

112 °C

Flash Point：

52 °F

Refractive Index：

n 20/D 1.423(lit.)

Water Solubility：

0.00 M

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 1

wgk germany：

hazard class code：

11-36/37/38

safety instructions：

16-26

Marks：

F,Xi

Precautionary statement(s)：

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, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (97.78%): Highly Flammable liquid and vapor [Danger 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:96.17
XLogP3:2.9
Rotatable Bond Count:2
Exact Mass:96.093900383
Monoisotopic Mass:96.093900383
Heavy Atom Count:7
Complexity:78.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes