2-Chloro-3-methylpyridine
Completing data — refresh the page later to see the latest
Basic information
- CAS
18368-76-8- Standard SMILES
Cc1cccnc1Cl- InChIKey
RKVUCIFREKHYTL-UHFFFAOYSA-N- Molecular formula
- C6H6ClN
- Average molar mass
- 127.57 g/mol
- Monoisotopic mass
- 127.01887687
Names & identifiers
- Preferred name
- 2-Chloro-3-methylpyridine
- IUPAC
- 2-chloro-3-methylpyridine
- English name
- 2-Chloro-3-methylpyridine
- Molecular formula
- C6H6ClN
- Molecular weight
- 127.57
Names & synonyms
2-Chloro-3-methylpyridine18368-76-8EINECS 242-242-1DTXSID00171461RefChem:468727DTXCID2093952242-242-12-Chloro-3-picoline2-Chloro 3-methylpyridineMFCD00234177Pyridine, 2-chloro-3-methyl-2-chloro-3-methyl-pyridine
Show more names
2-Chlor-3-methylpyridin2-CHLORO-3-METHYLPYRRIDINE2-Chloro-3-Pilcoline2-CHLORO-3-METHYLP...2-Chloro-3-picoline,98%2-Choro-3-methypyridine2-Chloro-3-mehyl pyridine
2-chloro-methyl-pyridine2-Chloro-3-methylpyridine, 97%AB05179SY017766C1885EN300-560573-Picoline, 2-chloro-2-chloro-3-methyl pyridine
Database identifiers
- CAS
18368-76-8- PubChem CID
- 87603
- DTXSID
DTXSID00171461- ChEMBL
CHEMBL4648536- EC Number
- 242-242-1
- Nikkaji
- J100.608H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Physicochemical properties
- Melting point
- 193 °C · 193 °C
- Boiling point
- 192 · 192-193 °C/751 mmHg (lit.)
- Density
- 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.533(lit.)
- Flash point
- 175 °F · 175 °F
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 0.75 · 0.75±0.10(Predicted)
- form
- Liquid
- color
- Colorless to light yellow
- Specific Gravity
- 1.17 · 1.170
- BRN
- 107895 · 107895
- InChI
- InChI=1S/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
- InChIKey
- RKVUCIFREKHYTL-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC=C1C
- CAS DataBase Reference
- 18368 · 18368-76-8(CAS DataBase Reference)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (12.8%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29333990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H227-H302+H312+H332-H302-H312-H331-H315-H319-H335
Chemistry & industry
Applications
Description2-Chloro-3-methylpyridine is an intermediate for many medicines and pesticides, such as fluazifop, nicosulfuron, and fluazifop. Moreover, with the gradual promotion of these new high-efficiency and low-toxic heterocyclic pesticides, 2-chloro-3-methylpyridine is increasing. The industrial method for preparing 2-chloro-3-methylpyridine is to obtain it by site-specific chlorination of 3-methylpyridine. First, 3-methylpyridine is epoxidized and then chlorinated. The main chlorinated 3-methylpyridine is a mixture of 2-chloro-3-methylpyridine and 2-chloro-5-methylpyridine, of which 2-chloro-3-methylpyridine accounts for 20% (mass).
Uses2-Chloro-3-methylpyridine is an active ingredient and a major constituent of imidaclopide, a systemic insecticide that acts as insect neurotoxin and belongs to a class of chemical called the neonicotinoids.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
15 records
Compound notes
Loading…