Basic information
- CAS
338-03-4- Standard SMILES
CC(O)(CC(=O)O)C(F)(F)F- InChIKey
JCJGOWYCFRASTM-UHFFFAOYSA-N- Molecular formula
- C5H7F3O3
- Average molar mass
- 172.1 g/mol
- Monoisotopic mass
- 172.03472874
Names & identifiers
- Preferred name
- 4,4,4-Trifluoro-3-hydroxy-3-methylbutanoic acid
- IUPAC
- 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
- English name
- 3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid
- Molecular formula
- C5H7F3O3
- Molecular weight
- 172.1
Names & synonyms
338-03-44,4,4-trifluoro-3-hydroxy-3-methylbutanoic acidDTXSID10955375RefChem:506965DTXCID001383370670-558-33-hydroxy-3-methyl-4,4,4-trifluorobutyric acid3-(Trifluoromethyl)-3-hydroxybutyric acid4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acidMFCD000395313-hydroxy-3-(trifluoromethyl)butyric acid4,4,4-trifluoro-3-hydroxy-3-methyl-butanoic acid
Show more names
3-Hydroxy-4,4,4-trifluoroisovalericacid3-Hydroxy-3-(trifluoromethyl)butyricacid97%3-Hydroxy-3-(trifluoromethyl)butyric acid 97%3-Hydroxy-4,4,4-trifluoroisovaleric acid~4,4,4-Trifluoro-3-hydroxy-3-methylbu3-Hydroxy-4,4,4-trifluoroisovaleric acid~4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid~3-Trifluoromethyl-3-hydroxybutyric acid
4,4,4-trifluoro-3-hydroxy-3-methyl-butyric acidButanoic acid, 4,4,4-trifluoro-3-hydroxy-3-methyl-SCHEMBL936633HMS1784I13AKOS001145959AKOS0163457113-hydroxy-3-trifluoromethylbutyric acid3-Trifluoromethyl-3-hydroxybutyric acid
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 39 · 39-41℃
- Boiling point
- 87 °C · 87 °C
- Density
- 1.388 · 1.3880
- refractive index
- 1.388 · 1.3880
- Flash point
- 87 · 87-90°C/0.5mm
- storage temp.
- Sealed in dry,Room Temperature
- CAS DataBase Reference
- 338 · 338-03-4(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P309-P310
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · 3265
- Hazard Note
- Corrosive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)
Safety data
- ridadr
- 3265
- hs_code
- 2915609000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280-P305+P351+P338-P309-P310
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
Clearsynth Labs Limited
Related reactions
9 records
Compound notes
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