3-Brom-1,1,1-trifluoraceton

3-Bromo-1,1,1-trifluoro-2-propanone

HCID 79008CAS 431-35-6

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Grundinformationen

Standard-SMILES: O=C(CBr)C(F)(F)F
InChIKey: ONZQYZKCUHFORE-UHFFFAOYSA-N
Summenformel: C3H2BrF3O
Durchschnittliche Molmasse: 190,95 g/mol
Monoisotopische Masse: 189,92411

Namen und Bezeichner

Bevorzugter Name: 3-Bromo-1,1,1-trifluoro-2-propanone
IUPAC: 3-bromo-1,1,1-trifluoropropan-2-one
Lokaler Name: 3-Brom-1,1,1-trifluoraceton
Englischer Name: 3-Bromo-1,1,1-trifluoroacetone
Summenformel: C3H2BrF3O
Molmasse: 190.95

Namen und Synonyme

431-35-6Bromotrifluoroacetone3-Bromo-1,1,1-trifluoro-2-propanone3-Bromo-1,1,1-trifluoropropanone53REV65E853,3,3-trifluorobromoacetoneDTXSID30195690RefChem:121646DTXCID70118181207-071-93-Bromo-1,1,1-trifluoroacetone1-Bromo-3,3,3-trifluoroacetone

Weitere Namen anzeigen

3-Bromo-1,1,1-TrifluroacetoneTIMTEC-BB SBB0066051-Bromo-3,3,3-trifL3-BROMO-1,1,1-TRIFLUOROPANONE

3-bromo-1,1,1-trifluoropropan-2-oneMFCD00039237C3H2BrF3O2-Propanone, 3-bromo-1,1,1-trifluoro-1-Bromo-3,3,3-trifluoro-2-propanone3-bromo-1,1,1-trifluoro-propan-2-one1,1,1-TRIFLUORO-3-BROMOPROPANONE1,1,1-trifluoro-3-bromoacetone

Datenbank-Bezeichner

CAS: 431-35-6
PubChem CID: 79008
DTXSID: DTXSID30195690
UNII: 53REV65E85
EC Number: 207-071-9
Nikkaji: J196.118G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

Schmelzpunkt: -80 °C · <-80°C
Siedepunkt: 87 °C/743 · 87 °C/743 mmHg (lit.)
Dichte: 1.839 g/mL · 1.839 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.376(lit.)
Flammpunkt: 41 °F · 41 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wichte: 1.839 · 1.839
Wasserlöslichkeit: Immiscible with water.
BRN: 1703387 · 1703387
InChI: 1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
InChIKey: ONZQYZKCUHFORE-UHFFFAOYSA-N
SMILES: FC(F)(F)C(=O)CBr
CAS Datenbank: 431 · 431-35-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Bromo-3,3,3-trifluoroacetone(431-35-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 5 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

Regulatory InformationStatus: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30030

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Corr. 1B (100%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30030

Sicherheitsdaten

F: 19
wgk: 3
ridadr: UN 2924 3/PG 2
hs_code: 29141900
risk_code: 11-34-37
hazard_code: F,C
hazard_note: Corrosive/Flammable/Lachrymatory
safety_code: 16-26-36/37/39-45
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Bromo-1,1,1-trifluoroacetone may be used in the synthesis of:3-nonylthio-1,1,1-trifluoropropan-2-onecyclic tetrapeptides containing trifluoromethyl and pentafluoroethyl ketone as zinc binding functional groupperfluoroalkylated trans-allylic alcohols