Basic information
- CAS
753-90-2- Standard SMILES
NCC(F)(F)F- InChIKey
KIPSRYDSZQRPEA-UHFFFAOYSA-N- Molecular formula
- C2H4F3N
- Average molar mass
- 99.06 g/mol
- Monoisotopic mass
- 99.02958379
Names & identifiers
- Preferred name
- Ethanamine, 2,2,2-trifluoro-
- IUPAC
- 2,2,2-trifluoroethanamine
- English name
- 2,2,2-Trifluoroethylamine
- Molecular formula
- C2H4F3N
- Molecular weight
- 99.06
Names & synonyms
Show more names
Database identifiers
- CAS
753-90-2- PubChem CID
- 9773
- DTXSID
DTXSID6061070- ChEMBL
CHEMBL1162282- UNII
- 44H2STW5P2
- EC Number
- 212-041-3
- Nikkaji
- J150.065A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 38.5
Experimental & physicochemical properties
Physicochemical properties
- Boiling point
- 36 · 36-37 °C(lit.)
- Density
- 1.262 g/mL · 1.262 g/mL at 20 °C(lit.)
- vapor pressure
- 7.6 psi · ~7.6 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.301(lit.)
- Flash point
- 2 °F · 2 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 5.47 · 5.47±0.30(Predicted)
- Specific Gravity
- 1.245 · 1.245
- color
- Clear colorless
- BRN
- 1733204 · 1733204
- InChI
- InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2
- InChIKey
- KIPSRYDSZQRPEA-UHFFFAOYSA-N
- SMILES
- C(N)C(F)(F)F
- CAS DataBase Reference
- 753 · 753-90-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 2 · 2,2,2-Trifluoroethylamine(753-90-2)
- EPA Substance Registry System
- 2 · Ethanamine, 2,2,2-trifluoro- (753-90-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H314-H412
- Precautionary statements
- 210 · P210-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles
- Hazard Codes
- F,C,T,Xi
- Risk Statements
- 11 · 11-34-52/53-22
- Safety Statements
- 26 · 26-36/37/39-45-25-16-61
- RIDADR
- 2733 · UN 2733 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 175000 · KS0175000
- F
- 3 · 3-10-13
- Hazard Note
- Corrosive/Toxic/Flammable
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29211990 · 29211990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Flam. Liq. 2Skin Corr. 1B
- Toxicity
- 50 ihl-mus: · LC50 ihl-mus: 4170 mg/m3/2H 85JCAE -,606,86
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 78 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 3-10-13
- PPE
- Faceshields, Gloves, Goggles
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KS0175000
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29211990
- Toxicity
- LC50 ihl-mus: 4170 mg/m3/2H 85JCAE -,606,86
- risk_code
- 11-34-52/53-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F,C,T,Xi
- hazard_note
- Corrosive/Toxic/Flammable
- safety_code
- 26-36/37/39-45-25-16-61
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302-H314-H412
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Flam. Liq. 2Skin Corr. 1B
- Precautionary statements
- P210-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses2,2,2-Trifluoroethanamine is a reagent used in chemical synthesis.
Uses2,2,2-Trifluoroethylamine was used in the determination of ibuprofen (2-(p-isobutylphenyl)propionic acid), a non-steroid anti-inflammatory drug (NSAID) residue in surface and wastewater samples.
General Description2,2,2-Trifluoroethylamine, a volatile organic compound, was tested using corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry (CD IMS-oaTOF).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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