1,1,1-Trifluoraceton

Methyl trifluoromethyl ketone

HCID 9871CAS 421-50-1
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(=O)C(F)(F)F
InChIKey
FHUDAMLDXFJHJE-UHFFFAOYSA-N
Summenformel
C3H3F3O
Durchschnittliche Molmasse
112,05 g/mol
Monoisotopische Masse
112,01359938

Namen und Bezeichner

Bevorzugter Name
Methyl trifluoromethyl ketone
IUPAC
1,1,1-trifluoropropan-2-one
Lokaler Name
1,1,1-Trifluoraceton
Englischer Name
1,1,1-Trifluoroacetone
Summenformel
C3H3F3O
Molmasse
112.05

Namen und Synonyme

1,1,1-TRIFLUOROACETONE421-50-11,1,1-Trifluoro-2-propanoneMethyl trifluoromethyl ketone2-Propanone, 1,1,1-trifluoro-Trifluoromethyl methyl ketone3,3,3-TrifluoroacetoneK987U5C2CXEINECS 207-005-9NSC 66412NSC-664121,1,1Trifluoroacetone
Weitere Namen anzeigen
CH3COCF31,1,1-trifluoro-propan-2-one1,1,1-TrifLuoroacetoneTrilfuoroacetone1,1,1-Trifluoroaceto
3,3,3TrifluoroacetoneRefChem:8181101,1,1Trifluoro2propanone207-005-9InChI=1/C3H3F3O/c1-2(7)3(4,5)6/h1H1,1,1-trifluoropropan-2-oneTrifluoroacetoneMFCD00000423

Datenbank-Bezeichner

CAS
421-50-1
PubChem CID
9871
DTXSID
DTXSID9059963
UNII
K987U5C2CX
EC Number
207-005-9
Nikkaji
J48E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,1
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Ketones
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials PropertiesSchoenflies notation
Vapor Pressure728.0 [mmHg]
Physical DescriptionClear colorless liquid; bp = 22 deg C; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
-78 °C · -78 °C
Siedepunkt
22 °C · 22 °C(lit.)
Dichte
1.252 g/mL · 1.252 g/mL at 25 °C(lit.)
Dampfdruck
13.62 psi · 13.62 psi ( 20 °C)
Brechungsindex
20 · n20/D 1.3(lit.)
Flammpunkt
23 °F · −23 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, 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 160 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 04-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24736

1,1,1-Trifluoroacetone: HSNO Approval: HSR006891 Approved with controls

Hazards SummaryA skin and strong eye irritant; A lachrymator; [Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 1 (100%)

Toxikologische Informationen

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Sicherheitsdaten

F
19
wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 1
hs_code
29147090
risk_code
12-36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Propanone, 1,1,1-trifluoro-: ACTIVE

Anwendungen

Verwenden1,1,1-Trifluoroacetone is used as intermediate of bioactive substance and antihypertensive drug, and as effective synthetic building block and trifluoromethyl reaction reagent.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
济南万兴达新材料科技有限公司0531-88064106 18253116016 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]

Zugehörige Reaktionen

133
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…