Basic information
- Standard SMILES
Cc1cccc(CCl)n1- InChIKey
PFQYGHGKTNHYRQ-UHFFFAOYSA-N- Molecular formula
- C7H8ClN
- Average molar mass
- 141.6 g/mol
- Monoisotopic mass
- 141.03452694
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-6-methylpyridine
- IUPAC
- 2-(chloromethyl)-6-methylpyridine
- English name
- 2-(CHLOROMETHYL)-6-METHYLPYRIDINE
- Molecular formula
- C7H8ClN
- Molecular weight
- 141.6
Names & synonyms
2-(chloromethyl)-6-methylpyridine3099-29-4DTXSID50275746RefChem:253559DTXCID102024172-CHLOROMETHYL-6-METHYLPYRIDINEPYRIDINE, 2-(CHLOROMETHYL)-6-METHYL-2-chloromethyl-6-methyl-pyridineMFCD090552622-(chloromethyl)-6-methyl-pyridineSCHEMBL5105982-Chloromethyl-6-methylpryidine
Show more names
EOS-624302-(Chloromethyl)-6-methylpyridin2-(chloromethyl)-6-methylpyridine(SALTDATA: HCl)2-(CHLOROMETHYL)-6-METHYLPYRIDINE ISO 9001：2015 REACH
2-methyl-6-chloA2YZX9HWF76-Chloromethyl-2-picoline6-Methyl-2-picolyl chlorideSCHEMBL9720562SCHEMBL18322395SCHEMBL27845642SCHEMBL29502747
Database identifiers
- CAS
3099-29-4- PubChem CID
- 76546
- DTXSID
DTXSID50275746- UNII
- A2YZX9HWF7
- Nikkaji
- J29.222B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 159 · 159-161 °C
- Boiling point
- 118 · 118-120 °C(Press: 65 Torr)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- pka
- 4.43 · 4.43±0.12(Predicted)
- Appearance
- Light brown to brown Liquid
- InChI
- 1S/C7H8ClN/c1-6-3-2-4-7(5-8)9-6/h2-4H,5H2,1H3
- InChIKey
- PFQYGHGKTNHYRQ-UHFFFAOYSA-N
- SMILES
- ClCC1=NC(C)=CC=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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