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About This Item
Empirical Formula (Hill Notation):
C6H2Cl2F3N
CAS Number:
Molecular Weight:
215.99
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
259-585-8
MDL number:
Assay:
98%
InChI key
UPWAAFFFSGQECJ-UHFFFAOYSA-N
InChI
1S/C6H2Cl2F3N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H
SMILES string
FC(F)(F)c1ccc(Cl)nc1Cl
assay
98%
refractive index
n20/D 1.4850 (lit.)
bp
194-196 °C (lit.)
density
2.008 g/mL at 25 °C (lit.)
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
217.4 °F - closed cup
flash_point_c
103 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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T Horikawa et al.
Chemical & pharmaceutical bulletin, 49(12), 1621-1627 (2002-01-05)
An effective and practical synthetic route to methyl 2-methoxy-6-methylaminopyridine-3-carboxylate (7), the key intermediate of 5-bromo-2-methoxy-6-methylaminopyridine-3-carboxylic acid (1), from 2,6-dichloro-3-trifluoromethylpyridine (12) was undertaken. Process improvements were highlighted by regioselectivity of 12 with a nitrogen nucleophile and conversion of the 3-trifluoromethyl group
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