474940
5-Chloro-2-methylphenyl isothiocyanate
98%
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About This Item
Linear Formula:
ClC6H3(CH3)NCS
CAS Number:
Molecular Weight:
183.66
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
assay
98%
refractive index
n20/D 1.646 (lit.)
bp
268-272 °C (lit.)
density
1.248 g/mL at 25 °C (lit.)
SMILES string
Cc1ccc(Cl)cc1N=C=S
InChI
1S/C8H6ClNS/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChI key
VDBDGAPNWNWUSA-UHFFFAOYSA-N
General description
5-Chloro-2-methylphenyl isothiocyanate is an isothiocyanate derivative. Its enthalpy of vaporization at boiling point (543.15K) has been reported to be 48.045kjoule/mol.
Application
5-Chloro-2-methylphenyl isothiocyanate may be used in the synthesis of N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-thiourea (HDL376).
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Regulatory Information
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Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 548-548 (2014)
Thomas J F Nieland et al.
Journal of lipid research, 48(8), 1832-1845 (2007-05-30)
Treatment of atherosclerotic disease often focuses on reducing plasma LDL-cholesterol or increasing plasma HDL-cholesterol. We examined in vitro the effects on HDL receptor [scavenger receptor class B type I (SR-BI)] activity of three classes of clinical and experimental plasma HDL-cholesterol-elevating
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