2-Chloro-5-(chloromethyl)-3-fluoropyridine

HCID 21698201CAS 951652-82-7

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1cc(CCl)cnc1Cl
InChIKey: DGKPTNFDTFHUFN-UHFFFAOYSA-N
Molecular formula: C6H4Cl2FN
Average molar mass: 180 g/mol

Names & identifiers

Preferred name: 2-Chloro-5-(chloromethyl)-3-fluoropyridine
IUPAC: 2-chloro-5-(chloromethyl)-3-fluoropyridine
English name: 2-chloro-5-(chloromethyl)-3-fluoropyridine
Molecular formula: C6H4Cl2FN
Molecular weight: 180.01

Names & synonyms

2-CHLORO-5-(CHLOROMETHYL)-3-FLUOROPYRIDINE951652-82-7RefChem:469195856-337-6MFCD15523643SCHEMBL487436DGKPTNFDTFHUFN-UHFFFAOYSA-NAB706652-chloro-5-chloromethyl-3-fluoropyridine6-chloro-3-chloromethyl-5-fluoropyridineDB-4094832-chloro-5-(chloromethyl)-3-fluoro-Pyridine

Show more names

2-chloro-3-fluoro-5-pyridylmethyl chloridePYRIDINE, 2-CHLORO-5-(CHLOROMETHYL)-3-FLUORO-

D84735EN300-254954

Database identifiers

CAS: 951652-82-7
PubChem CID: 21698201
EC Number: 856-337-6

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Physicochemical properties

Boiling point: 233.9 · 233.9±35.0 °C(Predicted)
Density: 1.422 · 1.422±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: -0.94 · -0.94±0.10(Predicted)
Appearance: black liquid
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H315-H318-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P403+P233-P405-P501