Basic information
- CAS
252552-10-6- Standard SMILES
CCOC(=O)c1cnc(Cl)c(C)c1Cl- InChIKey
KLDOYPGZOWJLPL-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NO2
- Average molar mass
- 234.08 g/mol
- Monoisotopic mass
- 233.00103389
Names & identifiers
- Preferred name
- Ethyl 4,6-dichloro-5-methylnicotinate
- IUPAC
- ethyl 4,6-dichloro-5-methylpyridine-3-carboxylate
- English name
- Ethyl 4,6-dichloro-5-Methylnicotinate
- Molecular formula
- C9H9Cl2NO2
- Molecular weight
- 234.08
Names & synonyms
Ethyl 4,6-dichloro-5-methylnicotinate252552-10-6ethyl 4,6-dichloro-5-methylpyridine-3-carboxylateMFCD22419055Ethyl 4,6-dichloro-5-methyl-pyridine-3-carboxylateethyl 2,4-dichloro-3-methylpyridine-5-carboxylateEthyl4,6-dichloro-5-methylnicotinateSCHEMBL15413222DTXSID60444406KLDOYPGZOWJLPL-UHFFFAOYSA-NAKOS016000669AS-63118
Show more names
DA-43038SY120728CS-0134095O11787Ethyl 4,6-dichloro-5-methyl-3-pyridinecarboxylateF3181823-Pyridinecarboxylic acid, 4,6-dichloro-5-methyl-, ethyl ester
Database identifiers
- CAS
252552-10-6- PubChem CID
- 10752136
- DTXSID
DTXSID60444406- Nikkaji
- J1.210.311E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 303.4 · 303.4±37.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.98 · -0.98±0.10(Predicted)
- Appearance
- Colorless to off-white Solid-liquid mixture
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
3 records
Compound notes
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