Basic information
- CAS
70258-18-3- Standard SMILES
ClCc1ccc(Cl)nc1- InChIKey
SKCNYHLTRZIINA-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2N
- Average molar mass
- 162.01 g/mol
- Monoisotopic mass
- 160.97990452
Names & identifiers
- Preferred name
- 2-Chloro-5-(chloromethyl)pyridine
- IUPAC
- 2-chloro-5-(chloromethyl)pyridine
- English name
- 2-Chloro-5-(chloromethyl)pyridine
- Molecular formula
- C6H5Cl2N
- Molecular weight
- 162.02
Names & synonyms
2-Chloro-5-(chloromethyl)pyridineRefChem:469198454-800-3615-091-82-Chloro-5-chloromethylpyridine70258-18-3Pyridine, 2-chloro-5-(chloromethyl)-2-Chloro-5-chloromethyl-pyridineMFCD00125366SCHEMBL177992-chloro-5-chloromethypyridine5-chloromethyl-2-chloropyridine
Show more names
2-chloro-chloromethylpyridine6-Chlo60% in DMFAKOS MSC-0759AURORA KA-66942-Chloro-5-(chTIMTEC-BB SBB0039482-Chloro-5-Chloro-Me
6-chloro-3-chloromethylpyridineSCHEMBL183041612-chloro-5-(chlormethyl)pyridin2-chloro-5-pyridylmethylchloride2-chloro-5-chloromethyl pyridine6-chloro-3-chloromethyl pyridineDTXSID502204982-chloro-5-pyridylmethyl chloride
Database identifiers
- CAS
70258-18-3- PubChem CID
- 155479
- DTXSID
DTXSID50220498- EC Number
- 454-800-3、615-091-8
- Nikkaji
- J468.113D
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 87.1
Physicochemical properties
- Melting point
- 37 · 37-42 °C(lit.)
- Boiling point
- 267.08 °C · 267.08°C (rough estimate)
- Density
- 1.4411 · 1.4411 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- -0.75 · -0.75±0.10(Predicted)
- form
- Moist Crystals
- color
- Beige
- Water Solubility
- Insoluble in water.
- BRN
- 1635690 · 1635690
- InChI
- InChI=1S/C6H5Cl2N/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
- InChIKey
- SKCNYHLTRZIINA-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(CCl)C=C1
- CAS DataBase Reference
- 70258 · 70258-18-3(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Regulatory InformationStatus: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11962
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute Tox. 4 (94%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29333999
- risk_code
- 22-34-36-10
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi,F
- hazard_note
- Corrosive/Harmful
- safety_code
- 26-36/37/39-45-25-36-16
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Applications
Description2-Chloro-5-chloromethylpyridine is used for the synthesis of various pharmaceutical compounds. It can also be used for the synthesis of new neonicotinoid compounds1, having insecticidal activity. It is the raw material of pesticide products such as imidacloprid, acetamiprid as well as bactericide and herbicide2,3.
Uses2-Chloro-5-(chloromethyl)pyridine is used for the synthesis of various pharmaceutical compounds. It can also be used for the synthesis of new neonicotinoid compounds.
Upstream & downstream products
Upstream raw materials
Related reactions
397 records
Compound notes
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