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Home > Encyclopedia > Hexadecane, 1-isothiocyanato-

Hexadecane, 1-isothiocyanato-

Hexadecane, 1-isothiocyanato- structure

Hexadecane, 1-isothiocyanato- 

structure
  • CAS No:

    4426-87-3

  • Formula:

    C17H33NS

  • Chemical Name:

    Hexadecane, 1-isothiocyanato-

  • Synonyms:

    Hexadecane,1-isothiocyanato-;Isothiocyanic acid,hexadecyl ester;Hexadecyl isothiocyanate;1-Isothiocyanatohexadecane

Hexadecane, 1-isothiocyanato- Basic Attributes

283.51600

283.52

DTXSID80196091

2930909090

Characteristics

44.45000

6.57050

0.8870 g/cm3 @ Temp: 20 °C

180-194 °C @ Press: 0.35 Torr

174.5ºC

1.483

Safety Information

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Danger|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:283.5
XLogP3:9.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:15
Exact Mass:283.23337123
Monoisotopic Mass:283.23337123
Topological Polar Surface Area:44.4
Heavy Atom Count:19
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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