Basic information
- CAS
18600-51-6- Standard SMILES
O=c1oc(-c2ccc(F)cc2)nc2ccccc12- InChIKey
FWPIOVHFUGZTPA-UHFFFAOYSA-N- Molecular formula
- C14H8FNO2
- Average molar mass
- 241.22 g/mol
- Monoisotopic mass
- 241.05390666
Names & identifiers
- Preferred name
- 2-(4-fluorophenyl)-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-(4-fluorophenyl)-3,1-benzoxazin-4-one
- English name
- 2-(4-Fluorophenyl)-4H-3,1-benzoxazin-4-one
- Molecular formula
- C14H8FNO2
- Molecular weight
- 241.22
Names & synonyms
2-(4-fluorophenyl)-4H-3,1-benzoxazin-4-one18600-51-6DTXSID10351752RefChem:457706DTXCID40302818653-688-52-(4-fluorophenyl)-4H-benzo[d][1,3]oxazin-4-one2-(4-fluorophenyl)-3,1-benzoxazin-4-oneMFCD000871772-(4-fluorophenyl)benzo[d]1,3-oxazin-4-oneOprea1_740830Oprea1_771258
Show more names
2-(p-Fluorophenyl)-4H-3,1-benzoxazin-4-one4H-3,1-Benzoxazin-4-one, 2-(4-fluorophenyl)-
SCHEMBL913448CHEMBL4208562JS-219CFWPIOVHFUGZTPA-UHFFFAOYSA-NBDBM222127HMS1697D14CCG-16871SBB099420
Database identifiers
- CAS
18600-51-6- PubChem CID
- 708482
- DTXSID
DTXSID10351752- ChEMBL
CHEMBL4208562- EC Number
- 653-688-5
- Nikkaji
- J307.713F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 180 · 180-181
- Boiling point
- 343.3 · 343.3±21.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 1.97 · 1.97±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
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers9 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [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]
Alfa Chemistry+1-5166625404 · [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]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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