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1,6-Heptadiene

1,6-Heptadiene structure

CAS No:
3070-53-9
Formula:
C7H12
Chemical Name:
1,6-Heptadiene
Synonyms:
1,6-Heptadiene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear colorless liquid

1,6-Heptadiene Basic Attributes

Molecular Weight：

96.17

Exact Mass：

96.17

DSSTox ID：

DTXSID2062828

HScode：

2901299090

Characteristics

PSA：

XLogP3：

2.52870

Density：

0.714 g/mL at 25 °C(lit.)

Melting Point：

-129 °C

Boiling Point：

90 °C

Flash Point：

-10 °C

Refractive Index：

n20/D 1.414(lit.)

Water Solubility：

44mg/L(25 ºC)

Storage Conditions：

2-8°C

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 3295 3/PG 2

wgk germany：

hazard class code：

11-36/37/38-65

safety instructions：

16-26-62

Marks：

F,Xn

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, 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.

1,6-Heptadiene Use and Manufacturing

Manufacturing Info：

1,6-Heptadiene: INACTIVE

Computed Properties

Molecular Weight:96.17
XLogP3:3
Rotatable Bond Count:4
Exact Mass:96.093900383
Monoisotopic Mass:96.093900383
Heavy Atom Count:7
Complexity:45.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes