3,3-bis(trifluoromethyl)-3-hydroxypropionic acid
Names
[ CAS No. ]:
1547-36-0
[ Name ]:
3,3-bis(trifluoromethyl)-3-hydroxypropionic acid
[Synonym ]:
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
MFCD00040910
4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyric acid
Chemical & Physical Properties
[ Density]:
1.661 g/cm3
[ Boiling Point ]:
255.8ºC at 760 mmHg
[ Melting Point ]:
85°C
[ Molecular Formula ]:
C5H4F6O3
[ Molecular Weight ]:
226.07400
[ Flash Point ]:
108.5ºC
[ Exact Mass ]:
226.00600
[ PSA ]:
57.53000
[ LogP ]:
1.31680
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- ET4800000
- CHEMICAL NAME :
- Butyric acid, 3-hydroxy-4,4,4-trifluoro-3-(trifluoromethyl)-
- CAS REGISTRY NUMBER :
- 1547-36-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C5-H4-F6-O3
- MOLECULAR WEIGHT :
- 226.09
- WISWESSER LINE NOTATION :
- FXFFXQ1VQXFFF
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1215,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 13,1215,1970
Safety Information
[ Hazard Codes ]:
C: Corrosive;Xi: Irritant;
[ Risk Phrases ]:
R22;R34
[ Safety Phrases ]:
S26-S36/37/39-S45
[ RIDADR ]:
3261
[ RTECS ]:
ET4800000
[ Packaging Group ]:
II
[ Hazard Class ]:
8
[ HS Code ]:
2918199090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2918199090
[ Summary ]:
2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%