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Home > Encyclopedia > 2-Isothiocyanato-2,4,4-trimethylpentane

2-Isothiocyanato-2,4,4-trimethylpentane

2-Isothiocyanato-2,4,4-trimethylpentane structure

2-Isothiocyanato-2,4,4-trimethylpentane 

structure
  • CAS No:

    17701-76-7

  • Formula:

    C9H17NS

  • Chemical Name:

    2-Isothiocyanato-2,4,4-trimethylpentane

  • Synonyms:

    Pentane,2-isothiocyanato-2,4,4-trimethyl-;Isothiocyanic acid,1,1,3,3-tetramethylbutyl ester;2-Isothiocyanato-2,4,4-trimethylpentane;2-(Isothiocyanato)-2,4,4-trimethylpentane;NSC 65473

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

Clear yellow to orange-brown liquid

2-Isothiocyanato-2,4,4-trimethylpentane Basic Attributes

171.3

171.30

241-710-2

65473

DTXSID90170241

29309099

Characteristics

44.4

3.30400

0.91 g/cm3 @ Temp: 25 °C

91-97 °C @ Press: 10 Torr

69 °C

1.483-1.487

0-6°C

Safety Information

III

6.1(b)

2810

36/37/38-20/21/22

36/37/39-26

Xn

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

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:171.31
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:171.10817072
Monoisotopic Mass:171.10817072
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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