2-Bromo-4-(trifluoromethyl)benzaldehyde

HCID 3020373

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Grundinformationen

CAS: 85118-24-7
Standard-SMILES: O=Cc1ccc(C(F)(F)F)cc1Br
InChIKey: CUKSTNNYAHZPRM-UHFFFAOYSA-N
Summenformel: C8H4BrF3O
Durchschnittliche Molmasse: 253,02 g/mol
Monoisotopische Masse: 251,93976

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-(trifluoromethyl)benzaldehyde
IUPAC: 2-bromo-4-(trifluoromethyl)benzaldehyde
Englischer Name: 2-bromo-4-(trifluoromethyl)benzaldehyde
Summenformel: C8H4BrF3O
Molmasse: 253.02

Namen und Synonyme

2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-7EINECS 285-677-2DTXSID00234247RefChem:85703DTXCID00156738285-677-2MFCD09835101Benzaldehyde, 2-bromo-4-(trifluoromethyl)-N94F74WA95SCHEMBL153259UNII-N94F74WA95

Weitere Namen anzeigen

3-Bromo-4-formylbenzotrifluoride2-Amino-4-fluoro-6-methoxyacetophenone-bromo-4-(trifluoromethyl)benzaldehyde2-Bromo-4-(trifluoromethyl)benzaldehyde, 95+%

CL91182-Bromo-4-trifluoromethyl-benzaldehydeAKOS005063847AMY230602-bromo-4-trifluoromethylbenzaldehydeEBD9486362-Bromo-4-(trifluoromethyl)benzaldehyde;CS-W005029

Datenbank-Bezeichner

CAS: 85118-24-7
PubChem CID: 3020373
DTXSID: DTXSID00234247
UNII: N94F74WA95
EC Number: 285-677-2
Nikkaji: J309.744G

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: 230 · 230.0±40.0℃ (760 Torr)
Dichte: 1.677 · 1.677±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 92.9 · 92.9±27.3℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: liquid
Farbe: Clear, faint yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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. 4 (75%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (75%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (25%)；STOT SE 3 (75%)；Aquatic Chronic 2 (25%)