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2-Chloro-6-methoxy-4-(trifluoromethyl)pyridine

HCID 56832314
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Basic information

CAS
1160994-99-9
Standard SMILES
COc1cc(C(F)(F)F)cc(Cl)n1
InChIKey
FWEFQJNETFIPKG-UHFFFAOYSA-N
Molecular formula
C7H5ClF3NO
Average molar mass
211.57 g/mol
Monoisotopic mass
211.001176

Names & identifiers

Preferred name
2-Chloro-6-methoxy-4-(trifluoromethyl)pyridine
IUPAC
2-chloro-6-methoxy-4-(trifluoromethyl)pyridine
English name
2-Chloro-6-methoxy-4-trifluoromethyl-pyridine
Molecular formula
C7H5ClF3NO
Molecular weight
211.57

Names & synonyms

2-Chloro-6-methoxy-4-(trifluoromethyl)pyridine1160994-99-92-Chloro-6-methoxy-4-trifluoromethyl-pyridineMFCD11845745SCHEMBL1437397SBB094530AKOS015851265AS-5550SB55464DA-476872-methoxy-6-chloro-4-trifluoromethylpyridineCS-0441601
Show more names
2,4,8-Trichlorobenzaldehyde6-Chloro-2-methoxy-4-(trifluoromethyl)pyridine
F075446Pyridine, 2-chloro-6-methoxy-4-(trifluoromethyl)-2-Chloro-6-methoxy-alpha,alpha,alpha-trifluoro-4-picoline

Database identifiers

CAS
1160994-99-9
PubChem CID
56832314

Properties

Computed structural properties

XLogP
3
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
176

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H302+H312+H332-H315
Precautionary statements
280 · P280-P301+P312-P362+P364
HazardClass
IRRITANT
HS Code
2933399990 · 2933399990

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2933399990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P280-P301+P312-P362+P364

Chemistry & industry

Applications

Uses2-Chloro-6-methoxy-4-(trifluoromethyl)pyridine is used as a reagent to synthesize pteridines, compounds that act as fungicides, insecticides and antiparasitics.

Upstream & downstream products

Upstream raw materials

MethanolSodium Methoxide2,6-Dichloro-4-(trifluoromethyl)pyridine

Related reactions

3 records
New reaction record
HRID 120616 reaction equation
HRID 120616As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 339807 reaction equation
HRID 339807As productuspto-grants-2014_11
HRID 1255901 reaction equation
HRID 1255901As productuspto-grants-2013_06

Compound notes

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