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Structure

Benzene,4-bromo-1-isothiocyanato-2-methyl-

CAS
19241-38-4
Catalog Number
ACM19241384
Category
Other Products
Molecular Weight
228.11
Molecular Formula
C8H6 Br N S

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Specification

Synonyms
ZINC02168493, 4-Bromo-1-isothiocyanato-o-toluene, CID87977, EINECS 242-907-6, 4-Bromo-1-isothiocyanato-2-methylbenzene, Benzene, 4-bromo-1-isothiocyanato-2-methyl-, 19241-38-4
IUPAC Name
4-bromo-1-isothiocyanato-2-methylbenzene
Canonical SMILES
CC1=C(C=CC(=C1)Br)N=C=S
InChI Key
YASXCQRGYJGIKD-UHFFFAOYSA-N
Boiling Point
130ºC
Melting Point
45ºC
Flash Point
136ºC
Density
1.44g/cm³
EC Number
242-907-6
Exact Mass
226.94000
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
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