Basic information
- CAS
955-10-2- Standard SMILES
O=c1oc2ccccc2cc1-c1ccccc1- InChIKey
HWDSXZLYIKESML-UHFFFAOYSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.06807956
Names & identifiers
- Preferred name
- 3-Phenylcoumarin
- IUPAC
- 3-phenylchromen-2-one
- English name
- 3-Phenylcoumarin
- Molecular formula
- C15H10O2
- Molecular weight
- 222.24
Names & synonyms
3-Phenylcoumarin955-10-23-phenylchromen-2-one3-Phenyl-2-benzopyrone2H-1-Benzopyran-2-one, 3-phenyl-WV24YNY4AUNSC-14860DTXSID50241860RefChem:95327DTXCID80164351213-473-53-Phenyl-2H-chromen-2-one
Show more names
NKX-2083AKOS 214-81AKOS AU36-M4163-Phenylcoumarine3-Phenyl-2-chromenone
Coumarin, 3-phenyl-3-Phenylcumarin3-phenyl-chromen-2-oneMFCD000169633-Phenyl-2H-1-benzopyran-2-oneNSC14860MLS000677581SMR000271743
Database identifiers
- CAS
955-10-2- PubChem CID
- 70385
- DTXSID
DTXSID50241860- ChEMBL
CHEMBL510349- UNII
- WV24YNY4AU
- EC Number
- 213-473-5
- Nikkaji
- J80.041D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP3.22
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 140 · 140-141 °C
- Boiling point
- 403.8 · 403.8±24.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Toluene (Very Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 24 YNY4AU · WV24YNY4AU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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]
P264, P270, P301+P317, P330, 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-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers30 total
河南萨克斯生物科技有限公司13803717460 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
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]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
河南氢硅新材料科技有限公司00-18037331-859 18037331859 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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