Basic information
- CAS
892665-47-3- Standard SMILES
COC(=O)c1cc(Cl)cc(CCl)n1- InChIKey
BJOUKJAYPIASOQ-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO2
- Average molar mass
- 220.05 g/mol
- Monoisotopic mass
- 218.9853839
Names & identifiers
- Preferred name
- Methyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
- IUPAC
- methyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
Names & synonyms
892665-47-3METHYL 4-CHLORO-6-(CHLOROMETHYL)PYRIDINE-2-CARBOXYLATERefChem:816351103-930-6Methyl 4-chloro-6-(chloromethyl)picolinatemethyl4-chloro-6-(chloromethyl)pyridine-2-carboxylateSCHEMBL2956768BJOUKJAYPIASOQ-UHFFFAOYSA-NAB75082EN300-8156523Methyl 4-chloro-6-(chloromethyl)-2-pyridinecarboxylate
Database identifiers
- CAS
892665-47-3- PubChem CID
- 68456565
- EC Number
- 103-930-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
Related reactions
3 records
Compound notes
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