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Structure

1,4-Butane diisothiocyanate

CAS
4430-51-7
Catalog Number
ACM4430517
Category
Other Products
Molecular Weight
172.27
Molecular Formula
C6H8N2S2

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Specification

Synonyms
1,4-Butane diisothiocyanate, 1,4-Diisothiocyanatobutane, 4430-51-7
IUPAC Name
1,4-diisothiocyanatobutane
Canonical SMILES
C(CCN=C=S)CN=C=S
InChI Key
RRSISCMPUAGVJN-UHFFFAOYSA-N
Boiling Point
170ºC 11mm
Melting Point
30-33ºC
Flash Point
139.4ºC
Density
1.1g/cm³
Exact Mass
172.01300
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36/37/39-S45
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