3,3-bis(trifluoromethyl)-3-hydroxypropionic acid

Modify Date: 2024-01-02 17:30:44

3,3-bis(trifluoromethyl)-3-hydroxypropionic acid Structure
3,3-bis(trifluoromethyl)-3-hydroxypropionic acid structure
 Common Name 3,3-bis(trifluoromethyl)-3-hydroxypropionic acid
CAS Number 1547-36-0 Molecular Weight 226.07400
Density 1.661 g/cm3 Boiling Point 255.8ºC at 760 mmHg
Molecular Formula C5H4F6O3 Melting Point 85°C
MSDS N/A Flash Point 108.5ºC

 Names

Name 3,3-bis(trifluoromethyl)-3-hydroxypropionic acid
Synonym More Synonyms

 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

2-Oxetanone,4,4-bis(trifluoromethyl)- structure

2-Oxetanone,4,4...

CAS#:1718-33-8

~%

3,3-bis(trifluoromethyl)-3-hydroxypropionic acid Structure

3,3-bis(trifluo...

CAS#:1547-36-0
Literature: Journal of Organic Chemistry, , vol. 33, # 5 p. 1839 - 1844
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile structure

4,4,4-trifluoro...

CAS#:2546-63-6

~%

3,3-bis(trifluoromethyl)-3-hydroxypropionic acid Structure

3,3-bis(trifluo...

CAS#:1547-36-0
Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , p. 1589 - 1591 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , p. 1687 - 1689
1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-4-butanoic acid ethyl ester structure

1,1,1-trifluoro...

CAS#:665-09-8

~%

3,3-bis(trifluoromethyl)-3-hydroxypropionic acid Structure

3,3-bis(trifluo...

CAS#:1547-36-0
Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , p. 640 - 646 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 4 p. 678 - 685
acetic acid structure

acetic acid

CAS#:64-19-7
Hexafluoroacetone structure

Hexafluoroacetone

CAS#:684-16-2

~%

3,3-bis(trifluoromethyl)-3-hydroxypropionic acid Structure

3,3-bis(trifluo...

CAS#:1547-36-0
Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , p. 1606 - 1607 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 9 p. 1661 - 1662
Malonic acid structure

Malonic acid

CAS#:141-82-2
Hexafluoroacetone structure

Hexafluoroacetone

CAS#:684-16-2

~%

3,3-bis(trifluoromethyl)-3-hydroxypropionic acid Structure

3,3-bis(trifluo...

CAS#:1547-36-0
Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , # 4 p. 647 - 653 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 4 p. 686 - 692

 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%

 Synonyms

4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid
MFCD00040910
4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butyric acid
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Chemsrc provides CAS#:1547-36-0 MSDS, density, melting point, boiling point, structure, etc. Its name is 3,3-bis(trifluoromethyl)-3-hydroxypropionic acid>> amp version: 3,3-bis(trifluoromethyl)-3-hydroxypropionic acid

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