CAS 54127-31-0 2,3-Dichloro-5-(chloromethyl)pyridine (HCID 10176536)

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Basic information

CAS: 54127-31-0
Standard SMILES: ClCc1cnc(Cl)c(Cl)c1
InChIKey: XJCSQVBPRZIYPY-UHFFFAOYSA-N
Molecular formula: C6H4Cl3N
Average molar mass: 196.5 g/mol
Monoisotopic mass: 194.940932

Names & identifiers

Preferred name: 2,3-Dichloro-5-(chloromethyl)pyridine
IUPAC: 2,3-dichloro-5-(chloromethyl)pyridine
English name: 2,3-Dichloro-5-(chloromethyl)pyridine
Molecular formula: C6H4Cl3N
Molecular weight: 196.46

Names & synonyms

2,3-dichloro-5-(chloromethyl)pyridine54127-31-0C6H4Cl3NMFCD001253655-(Chloromethyl)-2,3-dichloropyridine2,3-dichloro-5-(chloromethyl)-pyridinePyridine, 2,3-dichloro-5-(chloromethyl)-5264AESCHEMBL1141323SCHEMBL30833526DTXSID70436438XJCSQVBPRZIYPY-UHFFFAOYSA-N

Show more names

5,6-Dichloronicotinyl chloride, alpha,5,6-Trichloro-3-picoline

ECA127312,3-dichloro-5-chloromethylpyridine5-chloromethyl-2,3-dichloro-pyridine2,3-Dichloro-5-chloromethyl-pyridineAKOS015851119CF-0755DA-17319SY357403

Database identifiers

CAS: 54127-31-0
PubChem CID: 10176536
DTXSID: DTXSID70436438
EC Number: 884-000-3

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 273.2 · 273.2±35.0 °C(Predicted)
Density: 1.463 · 1.463±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.51 · -1.51±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

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

Chemistry & industry

Applications

Uses2,3-Dichloro-5-(chloromethyl)pyridine is an intermediate used in the synthesis of 5-Chloro Imidacloprid (C366910), which is an impurity of Imidacloprid (I274990), a neonicotinoid; the active ingredient in certain neuro-active insecticides.