Basic information
- CAS
366-79-0- Standard SMILES
O=C(O)CNC(=O)c1ccc(F)cc1- InChIKey
NVWXSGQHHUSSOU-UHFFFAOYSA-N- Molecular formula
- C9H8FNO3
- Average molar mass
- 197.16 g/mol
- Monoisotopic mass
- 197.04882134
Overview
a urinary metabolite of fluorapacin
Names & identifiers
- Preferred name
- 4-Fluorohippuric acid
- IUPAC
- 2-[(4-fluorobenzoyl)amino]acetic acid
- English name
- (4-Fluoro-benzoylamino)-acetic acid
- Molecular formula
- C9H8FNO3
- Molecular weight
- 197.16
Names & synonyms
4-fluorohippuric acidpara-FHApara-fluorohippuric acidRefChem:912521366-79-0p-Fluorohippuric acid(4-Fluoro-benzoylamino)-acetic acidn-(4-fluorobenzoyl)glycine2-[(4-fluorobenzoyl)amino]acetic Acid2-(4-Fluorobenzamido)acetic acidGlycine, N-(4-fluorobenzoyl)-MFCD00462263
Show more names
2-[(4-fluorophenyl)carbonylamino]ethanoic acid2-[[(4-fluorophenyl)-oxomethyl]amino]acetic acid
Hippuric acid, p-fluoro-2-[(4-fluorophenyl)formamido]acetic acidYM-3854616DD1839D932-[(4-fluorophenyl)carbonylamino]acetic acidUNII-6DD1839D93p-fluoro-hippuric acid4-fluoro-hippuric acid
Database identifiers
- CAS
366-79-0- PubChem CID
- 699341
- DTXSID
DTXSID30351395- UNII
- 6DD1839D93
- EC Number
- 887-651-1
- Nikkaji
- J991.169C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 173 °C · 173 °C
- Boiling point
- 427.7 · 427.7±30.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 3.39 · 3.39±0.10(Predicted)
- color
- White to Almost white
- FDA UNII
- 6 DD1839D93 · 6DD1839D93
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312+P330-P501
- HS Code
- 2924.29 · 2924.29.7790
Safety & regulation
Safety data
- hs_code
- 2924.29.7790
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312+P330-P501
Chemistry & industry
Applications
Uses4-Fluorohippuric acid is a major metabolite of flupirtine with research potential against pain and epilepsy[1].
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
26 records
Compound notes
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