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3,4,5-Trimethoxyphenyl isothiocyanate

CAS
35967-24-9
Catalog Number
ACM35967249
Category
Other Products
Molecular Weight
225.26
Molecular Formula
C10H11NO3S

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Specification

Synonyms
3,4,5-Trimethoxyphenyl isothiocyanate, ZERO/004630, 511854_ALDRICH, TOS-BB-1124, 5-Isothiocyanato-1,2,3-trimethoxybenzene, ALBB-008918, EINECS 252-820-5, CID118900, STK501314, ZINC04290257, Benzene, 5-isothiocyanato-1,2,3-trimethoxy-, 35967-24-9, InChI=1/C10H11NO3S/c1-12-8-4-7(11-6-15)5-9(13-2)10(8)14-3/h4-5H,1-3H
IUPAC Name
5-isothiocyanato-1,2,3-trimethoxybenzene
Canonical SMILES
COC1=CC(=CC(=C1OC)OC)N=C=S
InChI Key
AFWKAIYTSPWWCA-UHFFFAOYSA-N
Boiling Point
350.2ºC at 760mmHg
Melting Point
62-65ºC
Flash Point
165.6ºC
Density
1.15g/cm³
EC Number
252-820-5
Exact Mass
225.04600
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
4
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39
WGK Germany
3
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