Basic information
- CAS
87591-74-0- Standard SMILES
Cc1cccc2nc(CCl)cc(=O)n12- InChIKey
NZFZSMAXDGYHRH-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.04034059
Names & identifiers
- Preferred name
- 2-(chloromethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
- English name
- 2-(CHLOROMETHYL)-6-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
- Molecular formula
- C10H9ClN2O
- Molecular weight
- 208.64
Names & synonyms
2-(chloromethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one87591-74-0DTXSID903545642-(chloromethyl)-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-oneRefChem:253557DTXCID60305624840-322-62-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)-6-methyl-MFCD03030346SCHEMBL890409NZFZSMAXDGYHRH-UHFFFAOYSA-N
Show more names
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(chloromethyl)-6-methyl-2-(chloromethyl)-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one(SALTDATA: FREE)
STK654818AKOS001121482BS-36927EU-0033279EN300-11707G37341F312213SR-01000062015
Database identifiers
- CAS
87591-74-0- PubChem CID
- 776367
- DTXSID
DTXSID90354564- EC Number
- 840-322-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers5 total
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
福州福康医药科技有限公司18150835816 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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