Basic information
- CAS
24755-82-6- Standard SMILES
CCOC(=O)c1cnc(-c2ccccc2)nc1Cl- InChIKey
VXWYTPARKVGWFX-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.05090527
Names & identifiers
- Preferred name
- Ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate
- IUPAC
- ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate
- English name
- Ethyl 4-chloro-2-phenyl-5-pyrimidinecarboxylate
- Molecular formula
- C13H11ClN2O2
- Molecular weight
- 262.69
Names & synonyms
ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate24755-82-6Ethyl 4-chloro-2-phenyl-5-pyrimidinecarboxylate5-Pyrimidinecarboxylic acid, 4-chloro-2-phenyl-, ethyl esterMFCD019359745-carbethoxy-4-chloro-2-phenylpyrimidineNSC44687ethyl 4-chloro-2-phenyl-pyrimidine-5-carboxylateSCHEMBL2087835DTXSID30286310VXWYTPARKVGWFX-UHFFFAOYSA-NNSC 44687
Show more names
4-chloro-2-phenylpyrimidine-5-ethyl formate4-Chloro-2-phenyl-5-pyrimidinecarboxylic acid ethyl esterETHYL 4-CHLORO-2-PHENYL-5-PYRIMIDINECARBOXYLATE ISO 9001：2015 REACH
NSC-44687SBB102605AKOS005069239SB6066810M-550S4-Chloro-5-carbethoxy-2-phenylpyrimidineDB-0010294-chloro-5-ethoxycarbonyl-2-phenylpyrimidine
Database identifiers
- CAS
24755-82-6- PubChem CID
- 239537
- DTXSID
DTXSID30286310- Nikkaji
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 130 · 130-131°C
- Boiling point
- 317.2 · 317.2±35.0 °C(Predicted)
- Density
- 1.265 · 1.265
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.01 · -2.01±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
- HazardClass
- IRRITANT
- 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_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海惯承化工科技有限公司86-021-5821 5861; 18016401466
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
26 records
Compound notes
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