Isobutyl isothiocyanate

Catalog Number

ACM591822

Product Name

Isobutyl isothiocyanate

Structure

CAS

591-82-2

Category

Heterocyclic Organic Compound

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

Molecular Weight

115.2

Molecular Formula

C₅H₉NS

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

MSDS

COA

Spec Sheet