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1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene
Catalog Number
92444-14-9
CAS
92444-14-9
IUPAC Name
1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene
Molecular Weight
301.49
Molecular Formula
CH3(CH2)5C6H10C6H4NCS
Product Information
Purity
0.99
MDL
MFCD00134324
Appearance
Crystals
Flash Point
113 °C(235.4 °F)
Density
0.977 g/mL at 25 °C (lit.)
Refractive Index
1.532 (lit.)
Safety Information
Signal Word
Warning
Precautionary Statement
P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338
Hazard Statements
H302+H312+H332-H315-H319-H335
WGK Germany
3
Canonical SMILES
CCCCCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)N=C=S
InChI
InChI=1S/C19H27NS/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-15-21/h11-14,16-17H,2-10H2,1H3
InChI Key
STLICVZWECVJDT-UHFFFAOYSA-N
