Basic information
- CAS
364-71-6- Standard SMILES
O=C(CF)Oc1ccccc1C(=O)O- InChIKey
ISJRKJAXVBVDDK-UHFFFAOYSA-N- Molecular formula
- C9H7FO4
- Average molar mass
- 198.15 g/mol
- Monoisotopic mass
- 198.03283686
Names & identifiers
- Preferred name
- 2-((2-Fluoroacetyl)oxy)benzoic acid
- IUPAC
- 2-(2-fluoroacetyl)oxybenzoic acid
- English name
- 4-Fluoro-2-nitroaniline
- Molecular formula
- C9H7FO4
- Molecular weight
- 198.15
Names & synonyms
364-71-6Fluoroaspirin55RH7BA96P2-((2-FLUOROACETYL)OXY)BENZOIC ACIDRefChem:10604832-(2-fluoroacetoxy)benzoic acidO-(Fluoroacetyl)salicylic acid2-(2-fluoroacetyl)oxybenzoic acidSalicylic acid, fluoroacetateBenzoic acid,2-[(2-fluoroacetyl)oxy]-2-[(fluoroacetyl)oxy]benzoic acidBRN 3285002
Show more names
2-NITRO-4-FLUOROANILINEsalicylicacid,fluoroacetate2-(Fluoroacetyloxy)benzoic acid2-(2-fluoroethanoyloxy)benzoic acidBenzoic acid, 2-[(2-fluoroacetyl)oxy]-
UNII-55RH7BA96P2-(2-fluoroacetoxy)benzoicacidSCHEMBL4401026DTXSID30957750SALICYLIC ACID, 2-FLUOROACETATEs11910CS-0108459BENZOIC ACID, 2-((FLUOROACETYL)OXY)-
Database identifiers
- CAS
364-71-6- PubChem CID
- 67766
- DTXSID
DTXSID30957750- UNII
- 55RH7BA96P
- Nikkaji
- J48.321D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 90 · 90-94 °C(lit.)
- Boiling point
- 329.2 · 329.2±22.0 °C(Predicted)
- Density
- 1.3489 · 1.3489 (estimate)
- Flash point
- 193 °F · 193 °F
- pka
- 2.93 · 2.93±0.36(Predicted)
- CAS DataBase Reference
- 364 · 364-71-6(CAS DataBase Reference)
- FDA UNII
- 55 RH7BA96P · 55RH7BA96P
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36/37
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…