2-Bromo-5-(trifluoromethyl)benzaldehyde

HCID 7018047CAS 102684-91-3

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Grundinformationen

Standard-SMILES: O=Cc1cc(C(F)(F)F)ccc1Br
InChIKey: CSOBJYGHQOLWOD-UHFFFAOYSA-N
Summenformel: C8H4BrF3O
Durchschnittliche Molmasse: 253,02 g/mol
Monoisotopische Masse: 251,93976151

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-(trifluoromethyl)benzaldehyde
IUPAC: 2-bromo-5-(trifluoromethyl)benzaldehyde
Englischer Name: 2-Bromo-5-(trifluoromethyl)benzaldehyde
Summenformel: C8H4BrF3O
Molmasse: 253.02

Namen und Synonyme

2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-3DTXSID00907984RefChem:466747DTXCID301337071672-156-32-bromo-5-trifluoromethylbenzaldehydeBenzaldehyde, 2-bromo-5-(trifluoromethyl)-MFCD049737602-bromo-5-trifluoromethyl benzaldehydeSY014638bromo 5-trifluoromethyl benzaldehyde

Weitere Namen anzeigen

4-Bromo-3-formylbenzotrifluoride1-(4-Amino-2-hydroxyphenyl)ethane-2-one2-Bromo-5-(trifluoromethyl)benzaldehyde >2-BroMo-5-(trifluoroMethyl)benzaldehyde, 95+%4-Bromo-3-formylbenzotrifluoride, 6-Bromo-alpha,alpha,alpha-trifluoro-m-tolualdehyde

CL8259SBB063621AKOS0050638302-bromo-5-(trifluoromethy)benzaldehyde2-Bromo-5-trifluoromethyl-benzaldehydeAB21419AC-2296CS-W007492

Datenbank-Bezeichner

CAS: 102684-91-3
PubChem CID: 7018047
DTXSID: DTXSID00907984
EC Number: 672-156-3
Nikkaji: J2.713.577C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 192

Physikochemische Eigenschaften

Siedepunkt: 239.1 · 239.1±35.0 °C(Predicted)
Dichte: 1.677 · 1.677±0.06 g/cm3(Predicted)
Brechungsindex: 1.511 · 1.511
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
InChI: InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChIKey: CSOBJYGHQOLWOD-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(C(F)(F)F)=CC=C1Br
CAS Datenbank: 102684 · 102684-91-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.