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Basic information
- CAS
1240832-76-1- Standard SMILES
COC(=O)c1cnc(C)c(Cl)c1Cl- InChIKey
XCXCPXNSOKPNBO-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO2
- Average molar mass
- 220.05 g/mol
- Monoisotopic mass
- 218.9853839
Names & identifiers
- Preferred name
- Methyl 4,5-dichloro-6-methyl-3-pyridinecarboxylate
- IUPAC
- methyl 4,5-dichloro-6-methylpyridine-3-carboxylate
Names & synonyms
1240832-76-1methyl 4,5-dichloro-6-methylpyridine-3-carboxylateDTXSID201226225Methyl 4,5-dichloro-6-methyl-3-pyridinecarboxylateRefChem:815688DTXCID401657478835-961-2methyl 4,5-dichloro-6-methylnicotinate3-Pyridinecarboxylic acid, 4,5-dichloro-6-methyl-, methyl esterSCHEMBL31923XCXCPXNSOKPNBO-UHFFFAOYSA-NEN300-3197890
Database identifiers
- CAS
1240832-76-1- PubChem CID
- 58201215
- DTXSID
DTXSID201226225- EC Number
- 835-961-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
5 records
Compound notes
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