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1-(Bromomethyl)-3-Isothiocyanatobenzene
[CAS# 155863-31-3]

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Identification
Name 1-(Bromomethyl)-3-Isothiocyanatobenzene
Synonyms 3-(Bromomethyl)phenyl isothiocyanate; 3-Isothiocyanatobenzyl bromide; 40902_FLUKA
Molecular Structure CAS#: 155863-31-3, 1-(Bromomethyl)-3-Isothiocyanatobenzene
Molecular Formula C8H6BrNS
Molecular Weight 228.11
CAS Registry Number 155863-31-3
SMILES BrCc1cccc(/N=C=S)c1
InChI 1S/C8H6BrNS/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H,5H2
InChIKey OTUFZEMMKGWNCT-UHFFFAOYSA-N
Properties
Density 1.438g/cm3 (Cal.)
Boiling point 320.794°C at 760 mmHg (Cal.)
Flash point 147.811°C (Cal.)
Refractive index 1.607 (Cal.)
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