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Home > Encyclopedia > 3-(isocyanatomethyl)heptane

3-(isocyanatomethyl)heptane

3-(isocyanatomethyl)heptane structure

3-(isocyanatomethyl)heptane 

structure
  • CAS No:

    20392-34-1

  • Formula:

    C9H17NO

  • Chemical Name:

    3-(isocyanatomethyl)heptane

  • Synonyms:

    2-ethylhexylisocyanate; 2-Aethyl-hexylisocyanat; Hexane,2-ethyl-1-isocyanato-(5CI); Isocyanic acid,2-ethylhexyl ester (8CI); Heptane,3-(isocyanatomethyl); 3-(isocyanatomethyl)-heptane;Expand

  • Categories:

    Pharmaceutical Intermediates  >  Respiratory Tract

3-(isocyanatomethyl)heptane Basic Attributes

155.23700

155.131014166

DTXSID30504400

2929109000

Characteristics

29.43000

2.53860

0.887g/mL

190ºC

70ºC

n20/D 1.4320(lit.)

Safety Information

UN 2206 6.1/PG 3

R20/21/22; R36/37/38; R42

S23; S26; S36

Xn

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:155.24
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:155.131014166
Monoisotopic Mass:155.131014166
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:128
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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