Basic information
- CAS
13451-79-1- Standard SMILES
O=c1[nH]c2cc(F)ccc2o1- InChIKey
KXMRAGBOYTUYGL-UHFFFAOYSA-N- Molecular formula
- C7H4FNO2
- Average molar mass
- 153.11 g/mol
- Monoisotopic mass
- 153.02260659
Names & identifiers
- Preferred name
- 5-Fluoro-2(3H)-benzoxazolone
- IUPAC
- 5-fluoro-3H-1,3-benzoxazol-2-one
- English name
- 5-Fluoro-1,3-benzoxazol-2(3H)-one
- Molecular formula
- C7H4FNO2
- Molecular weight
- 153.11
Names & synonyms
5-Fluoro-2(3H)-benzoxazoloneRefChem:535722625-181-913451-79-15-Fluorobenzo[d]oxazol-2(3H)-one5-Fluoro-1,3-benzoxazol-2(3H)-one5-fluoro-3H-1,3-benzoxazol-2-oneMFCD080595395-fluoro-2,3-dihydro-1,3-benzoxazol-2-oneCHEMBL1012665-Fluorobenzoxazol-2(3H)-one5-Fluoro-3H-benzooxazol-2-one
Show more names
5-Fluorobenzoxazolone2(3H)-Benzoxazolone, 5-fluoro-5-Fluoro-2(3H)-benzoxazolone 96%5-FLUORO-2(3H)-BENZOXAZOLONE, 96%JRH-07609, 5-Fluorobenzo[d]oxazol-2(3H)-one, 97%
5-Fluoro-2-benzoxazolinoneNSC1467635-fluoro-benzoxazol-2-one5-Fluorobenzoxazolin-2-oneSCHEMBL2441625-Fluoro-3H-benzoxazol-2-oneSCHEMBL30567360DTXSID50301852
Database identifiers
- CAS
13451-79-1- PubChem CID
- 287208
- DTXSID
DTXSID50301852- ChEMBL
CHEMBL101266- EC Number
- 625-181-9
- Nikkaji
- J3.276.528I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 173 · 173-177 °C
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 8.29 · 8.29±0.70(Predicted)
- Appearance
- Yellow to orange Solid
- InChI
- 1S/C7H4FNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
- InChIKey
- KXMRAGBOYTUYGL-UHFFFAOYSA-N
- SMILES
- Fc1ccc2OC(=O)Nc2c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers46 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Related reactions
9 records
Compound notes
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