Pentane,2-isothiocyanato-2,4,4-trimethyl-

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Catalog Number
ACM17701767
Product Name
Pentane,2-isothiocyanato-2,4,4-trimethyl-
Structure
Structure
CAS
17701-76-7
Category
Heterocyclic Organic Compound
Synonyms
tert-Octyl isothiocyanate, NCIOpen2_000105, CID87255, NSC65473, EINECS 241-710-2, ZINC01692460, Pentane, 2-isothiocyanato-2,4,4-trimethyl-, 1,1,3,3-Tetramethylbutyl isothiocyanate, 2-Isothiocyanato-2,4,4-trimethylpentane, AI3-23336, 17701-76-7
IUPAC Name
2-isothiocyanato-2,4,4-trimethylpentane
Molecular Weight
171.3
Molecular Formula
C9H17 N S
Canonical SMILES
CC(C)(C)CC(C)(C)N=C=S
InChI Key
KUGHMFIBHMZICO-UHFFFAOYSA-N
Boiling Point
227.7ºC at 760mmHg
Flash Point
89.2ºC
Density
0.86g/cm³
Appearance
Clear yellow to orange-brown liquid
EC Number
241-710-2
Exact Mass
171.10800
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
36/37/39-26
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