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Merck
CN

474886

2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate

98%

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About This Item

Linear Formula:
ClC6H3(CF3)NCS
CAS Number:
23165-49-3
Molecular Weight:
237.63
NACRES:
NA.22
PubChem Substance ID:
24871062
UNSPSC Code:
12352100
MDL number:
MFCD00041055
Assay:
98%

Key Documents

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InChI

1S/C8H3ClF3NS/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3H

SMILES string

FC(F)(F)c1ccc(Cl)c(c1)N=C=S

InChI key

KHTMKXDMVYHDSY-UHFFFAOYSA-N

assay

98%

refractive index

n20/D 1.57 (lit.)

bp

239 °C (lit.)

density

1.447 g/mL at 25 °C (lit.)

General description

2-Chloro-5-(trifluoromethyl)phenyl isothiocyanate is an organic building block. Its enthalpy of vaporization at boiling point (512.15K) has been reported to be 45.053kjoule/mol.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCR8008
MKCJ3372
06512PH
04713AD
05707EB

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Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 548-548 (2014)

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