3,3,3-Trifluoropropionic acid (HCID 2777972)

Names & identifiers

Preferred name: 3,3,3-Trifluoropropionic acid
IUPAC: 3,3,3-trifluoropropanoic acid
English name: 3,3,3-Trifluoropropionic acid
Molecular formula: C3H3F3O2
Molecular weight: 128.05

Names & synonyms

3,3,3-Trifluoropropionic acid2516-99-6DTXSID70380740RefChem:270001DTXCID00331765629-437-03,3,3-trifluoropropanoic acidPROPANOIC ACID, 3,3,3-TRIFLUORO-3,3,3-trifluoro-propionic acidMFCD00153292trifluoromethylacetic acid1:2 fluorotelomer acid

Show more names

TFPAcas no.:2516-99-6RARECHEM AL BE 1046TrifluoropropionicacidTFPA 98% cas no 2516-99-63,3,3-Trifluoropropionnic acid3,3,3-tri fluoropropaonic acid

trifluoromethyl acetic acid3,3,3-trifluoropropanoicacidSCHEMBL185832SCHEMBL244110FT-PFCA; C3H3F3O2CHEMBL448844SCHEMBL80018213,3,3,-trifluoropropionic acid

Database identifiers

CAS: 2516-99-6
PubChem CID: 2777972
DTXSID: DTXSID70380740
ChEMBL: CHEMBL448844
EC Number: 629-437-0
Nikkaji: J135.772G

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 95.2

Physicochemical properties

Melting point: 9.7 °C · 9.7 °C (lit.)
Boiling point: 145 °C/746 · 145 °C/746 mmHg (lit.)
Density: 1.45 g/mL · 1.45 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.333(lit.)
Flash point: 100 °C · >100°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 1 · pK1:3.06 (25°C)
form: Liquid
color: Clear colorless
BRN: 1751796 · 1751796
InChI: InChI=1S/C3H3F3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)
InChIKey: KSNKQSPJFRQSEI-UHFFFAOYSA-N
SMILES: C(O)(=O)CC(F)(F)F
CAS DataBase Reference: 2516 · 2516-99-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H332-H412
Precautionary statements: 261 · P261-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29159000 · 29159000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 InhalationAquatic · Acute Tox. 4 InhalationAquatic Chronic 3Eye Dam. 1Skin Corr. 1A
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1A (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314-H332-H412
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 InhalationAquatic Chronic 3Eye Dam. 1Skin Corr. 1A
Precautionary statements: P261-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications

Uses3,3,3-Trifluoropropionic acid may be used in the synthesis of: 2,2,2-trifluoroethyl 3,3,3-trifluoroprionateethyl 3,3,3-trifluoroprionate N-trifluoropropionyl-D-mannosamine3,3,3-trifluoropropanoyl chloride