Basic information
- CAS
500-73-2- Standard SMILES
O=C(Oc1ccccc1)C(F)(F)F- InChIKey
DVCMYAIUSOSIQP-UHFFFAOYSA-N- Molecular formula
- C8H5F3O2
- Average molar mass
- 190.12 g/mol
- Monoisotopic mass
- 190.02416406
Names & identifiers
- Preferred name
- Acetic acid, 2,2,2-trifluoro-, phenyl ester
- IUPAC
- phenyl 2,2,2-trifluoroacetate
- English name
- Phenyl trifluoroacetate
- Molecular formula
- C8H5F3O2
- Molecular weight
- 190.12
Names & synonyms
Phenyl trifluoroacetate500-73-2Acetic acid, 2,2,2-trifluoro-, phenyl esterEINECS 207-911-4RefChem:552050207-911-4phenyl 2,2,2-trifluoroacetatePhenyltrifluoroacetateAcetic acid, trifluoro-, phenyl esterMFCD00039232Trifluoroacetic Acid Phenyl Ester38ZUP9U3KJ
Show more names
Phenol trifluoroacetatePhenyltrifluoroacetate98%Phenyl Trifluoroacetate >Phenyl trifluoroacetate 98%trifluoro-aceticaciphenylesterPhenyl Trifluoroacetate, ≥ 96.0%Phenyl trifluoroacetate, 98% 25ML
Phenyl trifluoroacetate, 97%orb3031270SCHEMBL1255890SCHEMBL9370177DTXSID9060106SCHEMBL12482942DVCMYAIUSOSIQP-UHFFFAOYSA-Fr12650
Database identifiers
- CAS
500-73-2- PubChem CID
- 68143
- DTXSID
DTXSID9060106- UNII
- 38ZUP9U3KJ
- EC Number
- 207-911-4
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- -8 · -8,5°C
- Boiling point
- 146 · 146-147 °C (lit.)
- Density
- 1.276 g/mL · 1.276 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.419(lit.)
- Flash point
- 127 °F · 127 °F
- storage temp.
- Flammables area
- form
- Liquid
- color
- Clear colorless
- Sensitive
- Moisture Sensitive
- InChI
- 1S/C8H5F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H
- InChIKey
- DVCMYAIUSOSIQP-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(=O)Oc1ccccc1
- CAS DataBase Reference
- 500 · 500-73-2(CAS DataBase Reference)
- EPA Substance Registry System
- Acetic acid, trifluoro-, phenyl ester (500-73-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29159000
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- hazard_note
- Harmful
- safety_code
- 16-26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2,2,2-trifluoro-, phenyl ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
4 records
Compound notes
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