Basic information
- CAS
554423-21-1- Standard SMILES
CCc1ccc2c(CCl)cc(=O)oc2c1- InChIKey
MXSFELXUKWXHOZ-UHFFFAOYSA-N- Molecular formula
- C12H11ClO2
- Average molar mass
- 222.67 g/mol
- Monoisotopic mass
- 222.0447573
Names & identifiers
- Preferred name
- 4-(chloromethyl)-7-ethyl-2H-chromen-2-one
- IUPAC
- 4-(chloromethyl)-7-ethylchromen-2-one
- English name
- 4-Chloromethyl-7-ethyl-chromen-2-one
- Molecular formula
- C12H11ClO2
- Molecular weight
- 222.67
Names & synonyms
554423-21-14-(chloromethyl)-7-ethyl-2H-chromen-2-oneRefChem:515647999-696-54-Chloromethyl-7-ethyl-chromen-2-one4-(chloromethyl)-7-ethylchromen-2-oneMFCD039809344-(Chloromethyl)-7-ethyl-2H-1-benzopyran-2-oneEnamine_005590HMS1409O02AKOS0001165084-(chloromethyl)-7-ethyl-chromen-2-one
Show more names
2H-1-Benzopyran-2-one, 4-(chloromethyl)-7-ethyl-
SY134751EN300-05669G35247SR-01000042673SR-01000042673-1Z56910353
Database identifiers
- CAS
554423-21-1- PubChem CID
- 2437243
- EC Number
- 999-696-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
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%)
Chemistry & industry
Suppliers4 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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