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Structure

Benzene,1,3-dichloro-5-isothiocyanato-

CAS
6590-93-8
Catalog Number
ACM6590938
Category
Other Products
Molecular Weight
204.08
Molecular Formula
C7H3Cl2NS

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Specification

Synonyms
3,5-Dichlorophenyl isothiocyanate, 475998_ALDRICH, 1,3-Dichloro-5-isothiocyanatobenzene, ZINC00164704, CID138776, BBR-059926, 6590-93-8
IUPAC Name
1,3-dichloro-5-isothiocyanatobenzene
Canonical SMILES
C1=C(C=C(C=C1Cl)Cl)N=C=S
InChI Key
JLEMKZDHFGCHLO-UHFFFAOYSA-N
Boiling Point
274ºC(lit.)
Melting Point
47-50ºC(lit.)
Flash Point
>230 °F
Density
1.37g/cm³
Exact Mass
202.93600
Hazard Statements
C
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S22-S26-S45-S36-S37-S39
WGK Germany
3
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