Basic information
- CAS
421-49-8- Standard SMILES
CC(N)C(F)(F)F- InChIKey
SNMLKBMPULDPTA-UHFFFAOYSA-N- Molecular formula
- C3H6F3N
- Average molar mass
- 113.08 g/mol
- Monoisotopic mass
- 113.04523385
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-2-propanamine
- IUPAC
- 1,1,1-trifluoropropan-2-amine
- English name
- 1-(Trifluoromethyl)ethylamine
- Molecular formula
- C3H6F3N
- Molecular weight
- 113.08
Names & synonyms
1,1,1-trifluoropropan-2-amine421-49-81,1,1-trifluoro-2-propanamineDTXSID901307602RefChem:409447DTXCID60862964806-637-82-Amino-1,1,1-trifluoropropaneMFCD049730201-(Trifluoromethyl)ethylamine1,1,1-trifluoro-2-propylamineSCHEMBL234663
Show more names
uoropropan-2-amine1,1,1-Trifluoroprop-2-ylaMine1,1,1-Trifluoro-2-aMinopropane2-PropanaMine,1,1,1-trifluoro-1,1,1-TRIFLUORO-ISOPROPYLAMINE
2,2,2-trifluoro-1-methylethylamine1,1,1-TRIFLUOROISOPROPYLAMINEAKOS005762894SY035354L-2,2,2,-trifluoro-1-(methyl)ethylamineCS-0022346N12201C3H6F3N
Database identifiers
- CAS
421-49-8- PubChem CID
- 3783165
- DTXSID
DTXSID901307602- UNII
- 49QD2666SS
- EC Number
- 806-637-8
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 57.7
Physicochemical properties
- Melting point
- 0 °C · 0°C
- Boiling point
- 0 °C · 0°C
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- refractive index
- 1.321 · 1.3210
- Flash point
- 0 °C · 0°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- liquid
- pka
- 5.82 · 5.82±0.50(Predicted)
- color
- Colourless
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 210 · P210-P280-P305+P351+P338-P310
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 2734 · 2734
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
- ridadr
- 2734
- hs_code
- 2921199990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H225-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P210-P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses1-(Trifluoromethyl)ethylamine is a flurorinated propanamine derivative used as a building block in the synthesis of pharmaceutical compounds such as hNav1.7 channel blockers and anti-cancer agents.
Suppliers94 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Related reactions
29 records
Compound notes
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