Basic information
- CAS
18600-52-7- Standard SMILES
O=c1oc(-c2ccc(Cl)cc2)nc2ccccc12- InChIKey
OMXNVOLVJFGYGQ-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO2
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0243562
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one
- IUPAC
- 2-(4-chlorophenyl)-3,1-benzoxazin-4-one
- English name
- 2-(p-Chlorophenyl)-4H-3,1-benzoxazin-4-one
- Molecular formula
- C14H8ClNO2
- Molecular weight
- 257.67
Names & synonyms
18600-52-72-(4-Chlorophenyl)-4H-benzo[d][1,3]oxazin-4-one2-(4-Chlorophenyl)-4H-benzo(d)(1,3)oxazin-4-oneRefChem:2522172-(4-chlorophenyl)-4H-3,1-benzoxazin-4-one2-(4-chlorophenyl)-3,1-benzoxazin-4-one2-(p-Chlorophenyl)-4H-3,1-benzoxazin-4-oneCHEMBL4637831SR-01000439311Oprea1_579678Oprea1_8028912-(4-Chloro-phenyl)-benzo[d][1,3]oxazin-4-one
Show more names
4H-3,1-Benzoxazin-4-one, 2-(4-chlorophenyl)-2-(4-CHLORO-PHENYL)-BENZO(D)(1,3)OXAZIN-4-ONE2-(PARA-CHLOROPHENYL)-3,1-BENZOXAZIN-4(4H)-ONE
SCHEMBL913962OMXNVOLVJFGYGQ-UHFFFAOYSA-NDTXSID501243541BDBM50544046STK033309AKOS000727697CCG-107162MS-0078
Database identifiers
- CAS
18600-52-7- PubChem CID
- 708458
- DTXSID
DTXSID501243541- ChEMBL
CHEMBL4637831
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 190 °C · 190 °C(Solv: ethanol (64-17-5))
- Boiling point
- 372.9 · 372.9±21.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 1.69 · 1.69±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers4 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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