CAS
591-80-0 Purity
98%
591-80-0 Purity
98%
![[2-[[2-[4-Chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]amino]-2-oxoethyl]-propan-2-ylazanium chloride](https://resource.alfa-chemistry.com/structure/59180-53-9.gif)
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Isobutyl isothiocyanate
CAS
591-82-2
Catalog Number
ACM591822
Category
Other Products
Molecular Weight
115.2
Molecular Formula
C5H9NS
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Specification
Synonyms
i-Butyl isothiocyanate, Isobutyl isothiocyanate, 2-Methylpropyl isothiocyanate, 1-Isothiocyanato-2-methylpropane, Isothiocyanic acid, isobutyl ester, Propane, 1-isothiocyanato-2-methyl-, EINECS 209-733-2, BB_SC-1844, BRN 1740371, ZINC01846032, LS-86424, Propane, 1-isothiocyanato-2-methyl- (9CI), 4-04-00-00653 (Beilstein Handbook Reference), 591-82-2
IUPAC Name
1-isothiocyanato-2-methylpropane
Canonical SMILES
CC(C)CN=C=S
InChI Key
NSDDRJXKROCWRZ-UHFFFAOYSA-N
Boiling Point
160-162ºC
Flash Point
24ºC
Density
0.94
EC Number
209-733-2
Exact Mass
115.04600
Hazard Statements
C:Corrosive;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S16-S26-S36/37/39
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