Basic information
- CAS
18127-43-0- Standard SMILES
CCOC(=O)c1cc(Cl)nc(Cl)n1- InChIKey
YPXGMTVJJQHIMB-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2N2O2
- Average molar mass
- 221.04 g/mol
- Monoisotopic mass
- 219.98063279
Names & identifiers
- Preferred name
- Ethyl 2,6-dichloropyrimidine-4-carboxylate
- IUPAC
- ethyl 2,6-dichloropyrimidine-4-carboxylate
- English name
- 4-PyriMidinecarboxylic acid, 2,6-dichloro-, ethyl ester
- Molecular formula
- C7H6Cl2N2O2
- Molecular weight
- 221.04
Names & synonyms
ethyl 2,6-dichloropyrimidine-4-carboxylate18127-43-0MFCD110446014-Pyrimidinecarboxylic acid, 2,6-dichloro-, ethyl esterSCHEMBL917429DTXSID30537455YPXGMTVJJQHIMB-UHFFFAOYSA-NAC4858AKOS016014936AB62938ethyl2,6-dichloropyrimidine-4-carboxylateSY030797
Show more names
DB-360370CS-0328469
Database identifiers
- CAS
18127-43-0- PubChem CID
- 13341900
- DTXSID
DTXSID30537455
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 318 · 318.0±22.0 °C(Predicted)
- Density
- 1.433 · 1.433±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -5.83 · -5.83±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers14 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
西安瑞成医药科技有限责任公司18291828687 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
西安新诺化学科技有限公司15332490153 · [email protected]
重庆奥舍生物化工有限公司023-63225655 13320248848 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Huadong Medicine (Xi'an)Bodyguard Pharmaceutical Co.,Ltd.+86-029-86185165 +86-18629664246 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
4 records
Compound notes
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