CAS 460-39-9 3,3,3-Trifluoropropylamine (HCID 10001)

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Grundinformationen

CAS: 460-39-9
Standard-SMILES: NCCC(F)(F)F
InChIKey: NGZVNONVXYLYQW-UHFFFAOYSA-N
Summenformel: C3H6F3N
Durchschnittliche Molmasse: 113,08 g/mol
Monoisotopische Masse: 113,04523368

Namen und Bezeichner

Bevorzugter Name: 3,3,3-Trifluoropropylamine
IUPAC: 3,3,3-trifluoropropan-1-amine
Englischer Name: 3,3,3-TRIFLUOROPROPYLAMINE
Summenformel: C3H6F3N
Molmasse: 113.08

Namen und Synonyme

3,3,3-TrifluoropropylamineRefChem:485097676-291-9460-39-93,3,3-trifluoropropan-1-amineTrifluoropropylamineMFCD016948541-Propanamine, 3,3,3-trifluoro-3,3,3-trifluoro-1-propanamineBRN 17347643,3,3-trifluoro-propylamine3,3,3-TRIFLUOROPROPYL-1-AMINE

Weitere Namen anzeigen

CF3CH2CH2NH23,3,3-trifluoro-propylamin3,3,3-trifluoro-1-propanamin3,3,3-TRIFLUOROBUTYL-1-AMINE3,3,3-Trifluoropropylamine97%1-Amino-3,3,3-trifluoropropane

PROPYLAMINE, 3,3,3-TRIFLUORO-1-Propanamine, 3,3,3-trifluoro- (9CI)SCHEMBL5088019DTXSID10196680FS-55353,3,3-trifluoropropylamine, AldrichCPRBB 0259905EN300-41780

Datenbank-Bezeichner

CAS: 460-39-9
PubChem CID: 10001
DTXSID: DTXSID10196680
ChEMBL: CHEMBL1162287
EC Number: 676-291-9
Nikkaji: J3.559.514G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 48

Experimentelle und physikochemische Eigenschaften

Dissociation Constants8.7

Physikochemische Eigenschaften

Siedepunkt: 67 °C · 67 °C
Dichte: 1.152 · 1.152±0.06 g/cm3(Predicted)
Brechungsindex: 1.3316 · 1.3316
pka: 8.18 · 8.18±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Clear
InChI: 1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
InChIKey: NGZVNONVXYLYQW-UHFFFAOYSA-N
SMILES: NCCC(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (40%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H300 (20%): Fatal if swallowed [Danger Acute toxicity, oral]；H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (60%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 2 (20%)；Acute Tox. 4 (20%)；Skin Corr. 1B (60%)；Skin Irrit. 2 (40%)；Eye Dam. 1 (40%)；Eye Irrit. 2 (20%)；Acute Tox. 4 (20%)；STOT SE 3 (40%)