Picolyl chloride
Basic information
- CAS
4377-33-7- Standard SMILES
ClCc1ccccn1- InChIKey
NJWIMFZLESWFIM-UHFFFAOYSA-N- Molecular formula
- C6H6ClN
- Average molar mass
- 127.57 g/mol
- Monoisotopic mass
- 127.0188769
Overview
2-(chloromethyl)pyridine is an organochlorine compound that is pyridine substituted at position 2 by a chloromethyl group. It is a member of pyridines and an organochlorine compound. It is a conjugate base of a 2-(chloromethyl)pyridinium.
Names & identifiers
- Preferred name
- Picolyl chloride
- IUPAC
- 2-(chloromethyl)pyridine
- English name
- 2-(Chloromethyl)pyridine
- Molecular formula
- C6H6ClN
- Molecular weight
- 127.57
Names & synonyms
2-(Chloromethyl)pyridine4377-33-72-Chloromethylpyridine2-Picolyl chloridePyridine, 2-(chloromethyl)-picolyl chloride2-CMP59YW2EH117DTXSID2043824CHEBI:76601RefChem:929253DTXCID0023824
Show more names
AKOS B0065882-Chloromethyl-Chloro-picolineART-CHEM-BB B006588Pyridine,2-(chloroMethyl)-2-(Chloromethyl)pyridine ISO 9001：2015 REACH
2-chloromethyl pyridinechloromethylpyridineMFCD05861645ZINC82949642-picolylchloride2-Picolinyl chloride; 2-Picolyl chloride; 2-Pyridinemethyl chloride; 2-Pyridinylmethyl chloride2-pyridylmethyl chloridepicolylchloride
Database identifiers
- CAS
4377-33-7- PubChem CID
- 23393
- DTXSID
DTXSID2043824- ChEMBL
CHEMBL1620152- ChEBI
CHEBI:76601- UNII
- 59YW2EH117
- Nikkaji
- J29.220F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.5
Physicochemical properties
- Melting point
- 79 °C · 79 °C
- Boiling point
- 73 · 73-76 °C(Press: 10 Torr)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 3.76 · 3.76±0.12(Predicted)
- Appearance
- Brown to reddish brown Liquid
- CAS DataBase Reference
- 4377 · 4377-33-7(CAS DataBase Reference)
- FDA UNII
- 59 YW2EH117 · 59YW2EH117
- RIDADR
- 3265 · 3265
- HazardClass
- 8 · 8
- PackingGroup
- Ⅲ
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
- ridadr
- 3265
- hazard_class
- 8
- packing_group
- Ⅲ
Chemistry & industry
Applications
Uses2-(Chloromethyl)pyridine is an intermediate in the production of the drug chlorpheniramine.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: An organochlorine compound that is pyridine substituted at position 2 by a chloromethyl group.
Related reactions
321 records
Compound notes
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