Butyl isothiocyanate

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Catalog Number
ACM592825
Product Name
Butyl isothiocyanate
Structure
Structure
CAS
592-82-5
Category
Heterocyclic Organic Compound
Synonyms
Butyl isothiocyanate, Butyl mustard oil, 1-Isothiocyanatobutane, n-Butyl isothiocyanate, Butane, 1-isothiocyanato-, NBUTYL ISOTHIOCYANATE, ISOTHIOCYANIC ACID, BUTYL ESTER, 253790_ALDRICH, EINECS 209-770-4, NSC 194808, CID11613, NSC194808, ZINC01733350, AI3-18424, LS-86394, TL 00699, 592-82-5
IUPAC Name
1-isothiocyanatobutane
Molecular Weight
115.2
Molecular Formula
C5H9NS
Canonical SMILES
CCCCN=C=S
InChI Key
LIMQQADUEULBSO-UHFFFAOYSA-N
Boiling Point
168ºC at 760mmHg
Flash Point
66.1ºC
Density
0.92g/cm³
Appearance
clear colorless to yellow liquid
EC Number
209-770-4
Exact Mass
115.04600
Hazard Statements
C
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S
WGK Germany
3
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