Basic information
- CAS
17481-62-8- Standard SMILES
O=Cc1c(Cl)nc2ccccn2c1=O- InChIKey
VHLHXLJSHPMFCL-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O2
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.0039551
Names & identifiers
- Preferred name
- 2-Chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
- IUPAC
- 2-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
- English name
- 2-a)pyrimidine-3-carboxaldehyde,2-chloro-4-oxo-4h-pyrido(
- Molecular formula
- C9H5ClN2O2
- Molecular weight
- 208.6
Names & synonyms
2-Chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde2-CHLORO-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBALDEHYDERefChem:469090813-520-517481-62-82-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehydeMFCD008581922-a)pyrimidine-3-carboxaldehyde,2-chloro-4-oxo-4h-pyrido(4H-Pyrido(1,2-a)pyrimidine-3-carboxaldehyde, 2-chloro-4-oxo-4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 2-chloro-4-oxo-2-Chloro-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-carboxaldehyde2-chloro-4-oxo-5-hydropyridino[1,2-a]pyrimidine-3-carbaldehyde
Show more names
NSC 106678BRN 08812962-Chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxaldehydeNSC106678Oprea1_7275695-24-08-00133 (Beilstein Handbook Reference)MLS000767364SCHEMBL2226511
Database identifiers
- CAS
17481-62-8- PubChem CID
- 97222
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
Solubility>31.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 325.1 · 325.1±52.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.37 · -1.37±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers21 total
上海美洛英特化学有限公司15821661757 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
山东鑫牧源化工科技有限公司19105383610 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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