2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
Basic information
- CAS
5418-94-0- Standard SMILES
O=c1cc(Cl)nc2ccccn12- InChIKey
CGGMQFDVKUHJED-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O
- Average molar mass
- 180.59 g/mol
- Monoisotopic mass
- 180.0090405
Names & identifiers
- Preferred name
- 2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
- IUPAC
- 2-chloropyrido[1,2-a]pyrimidin-4-one
- English name
- 2-a)pyrimidin-4-one,2-chloro-4h-pyrido(
- Molecular formula
- C8H5ClN2O
- Molecular weight
- 180.59
Names & synonyms
2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one2-Chloro-4H-pyrido(1,2-a)pyrimidin-4-oneNSC 105464H-Pyrido(1,2-a)pyrimidin-4-one, 2-chloro-4H-Pyrido[1,2-a]pyrimidin-4-one, 2-chloro-BRN 0128192DTXSID202025295-24-03-00086 (Beilstein Handbook Reference)RefChem:86275DTXCID00125020959-959-7InChI=1/C8H5ClN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h1-5
Show more names
(2-a)pyrimidin-4-one,2-chloro-4h-pyrido ISO 9001：2015 REACH
5418-94-02-chloropyrido[1,2-a]pyrimidin-4-oneMFCD004578592-a)pyrimidin-4-one,2-chloro-4h-pyrido(WLN: T66NV EMJ DGMLS002638148NSC-10546F1260-0993
Database identifiers
- CAS
5418-94-0- PubChem CID
- 94959
- DTXSID
DTXSID20202529- ChEMBL
CHEMBL1887887- UNII
- 5NM3PV4MD4
- EC Number
- 959-959-7
- Nikkaji
- J51.372E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-4h-pyrido[1,2-a]pyrimidin-4-one is useful in the synthesis of pyrimidin-5-one derivatives.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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