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3-Heptyne

3-Heptyne structure

3-Heptyne 

structure
  • CAS No:

    2586-89-2

  • Formula:

    C7H12

  • Chemical Name:

    3-Heptyne

  • Synonyms:

    3-Heptyne;1-Ethyl-2-propylacetylene

3-Heptyne Basic Attributes

96.170

96.17

219-967-7

ASI2RQ5WEI

DTXSID10180509

2901299090

Characteristics

0

3.05

0.7527 g/cm3 @ Temp: 20 °C

-130.5 °C

107.2 °C

5.3±11.2 °C

1.424

31.7mmHg at 25°C

Safety Information

UN 3295 3/PG 1

3

R11

S16-S26-S36/37/39

F: Flammable;Xi: Irritant;

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

H225

|Danger|H225 (100%): 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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:96.17
XLogP3:2.8
Rotatable Bond Count:1
Exact Mass:96.093900383
Monoisotopic Mass:96.093900383
Heavy Atom Count:7
Complexity:78.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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