3-(Trifluoromethyl)pyrrolidine

HCID 5152159

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Basic information

CAS: 644970-41-2
Standard SMILES: FC(F)(F)C1CCNC1
InChIKey: HCWXUWGQMOEJJJ-UHFFFAOYSA-N
Molecular formula: C5H8F3N
Average molar mass: 139.12 g/mol
Monoisotopic mass: 139.06088392

Names & identifiers

Preferred name: 3-(Trifluoromethyl)pyrrolidine
IUPAC: 3-(trifluoromethyl)pyrrolidine
English name: 3-(Trifluoromethyl)pyrrolidine
Molecular formula: C5H8F3N
Molecular weight: 139.12

Names & synonyms

3-(trifluoromethyl)pyrrolidine644970-41-2DTXSID30408893RefChem:276078DTXCID803597453-trifluoromethylpyrrolidine3-TRIFLUOROMETHYL-PYRROLIDINEMFCD03840112Pyrrolidine, 3-(trifluoromethyl)-SCHEMBL126920SCHEMBL5125344-(trifluoromethyl)pyrrolidine

Show more names

SCHEMBL2039300SCHEMBL2042596SCHEMBL20502733-(trifluo-romethyl)pyrrolidineAKOS005259019AB74290AB74292PB21830

Database identifiers

CAS: 644970-41-2
PubChem CID: 5152159
DTXSID: DTXSID30408893
Nikkaji: J3.203.458F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 98.9

Physicochemical properties

Boiling point: 89 ℃ · 89℃
Density: 1.18 · 1.180
Flash point: 8 ℃ · 8℃
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
RIDADR: 2735 · UN2735
HazardClass: 8 · 8
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

ridadr: UN2735
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: 8
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501