4-METHYLBENZYL ISOTHIOCYANATE

CAS No.
3694-46-0
CCD No.
CCD00027001
Formula
C9 H9 N S
MolWeight
163.243

Basic Information

Product Name: 4-METHYLBENZYL ISOTHIOCYANATE
CAS: 3694-46-0
English Synonyms: 1-(ISOTHIOCYANATOMETHYL)-4-METHYLBENZENE ; 4-METHYLBENZYL ISOTHIOCYANATE
MDL Number.: MFCD00041118
H bond acceptor: 1
H bond donor: 0
Smile: Cc1ccc(cc1)CN=C=S
InChi: InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
InChiKey: InChIKey=OAXIUBJXQISJEV-UHFFFAOYSA-N

Property

Boiling Point: 97 DEG C/1MM
Density: DENSITY: 1.080
Physical Property: REFRACTIVE INDEX: 1.5890
Comments: BRN: 2082478
CORROSIVE/HARMFUL
EINECS: 000-000-0
HAZARD: R 20/21/22-34
HAZARD: S 26-36/37/39-45
RTECS: NX8860000
SENSITIVITY: MOISTURE SENSITIVE
UN NUMBER: UN2922

Safety information

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