Basic information
- CAS
367-64-6- Standard SMILES
CCCCOC(=O)C(F)(F)F- InChIKey
CLDYDTBRUJPBGU-UHFFFAOYSA-N- Molecular formula
- C6H9F3O2
- Average molar mass
- 170.13 g/mol
- Monoisotopic mass
- 170.05546401
Names & identifiers
- Preferred name
- Butyl trifluoroacetate
- IUPAC
- butyl 2,2,2-trifluoroacetate
- English name
- n-Butyl trifluoroacetate
- Molecular formula
- C6H9F3O2
- Molecular weight
- 170.13
Names & synonyms
n-Butyl trifluoroacetateButyl trifluoroacetatebutyl 2,2,2-trifluoroacetateEINECS 206-699-01-Butanol, trifluoroacetateCF3CO2(n-C4H9)DTXSID70190149Trifluoroacetic acid, n-butyl esterAcetic acid, trifluoro-, butyl esterNSC 77658nButyl trifluoroacetateRefChem:122294
Show more names
CF3C(O)O(CH2)3CH3But-1-yl trifluoroacetaten-Butyltrifluoroacetate97%BUTYL TRIFLUOROACETATE 98%But-1-yltrifluoroacetate97%n-Butyl trifluoroacetate 97%
Trifluoroacetic acid nbutyl esterDTXCID30112640UN2924206-699-0CLDYDTBRUJPBGU-UHFFFAOYSA-N367-64-6n-butyltrifluoroacetate1-butyl trifluoroacetate
Database identifiers
- CAS
367-64-6- PubChem CID
- 78987
- DTXSID
DTXSID70190149- UNII
- 3MZ278LA66
- EC Number
- 206-699-0
- Nikkaji
- J96.540E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Esters
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 100 °C · 100 °C
- Density
- 1.027 · 1.027
- refractive index
- 1.353 · 1.353
- Flash point
- 15 °C · 15°C
- Specific Gravity
- 1.027 · 1.027
- CAS DataBase Reference
- 367 · 367-64-6(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 280 · P280-P210
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses burns and lachrymation; Inhalation may cause severe respiratory tract irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- ridadr
- 3272
- hs_code
- 2915907098
- risk_code
- 11-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- F,C
- safety_code
- 16-23-45-36/37/39-26
- hazard_class
- FLAMMABLE
- Hazard statements
- H225-H314
Chemistry & industry
Suppliers17 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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