CAS 84459-33-6 2-Bromo-4-chlorobenzaldehyde (HCID 13154710)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 84459-33-6
Standard-SMILES: O=Cc1ccc(Cl)cc1Br
InChIKey: AJOAHIKYBSZIEV-UHFFFAOYSA-N
Summenformel: C7H4BrClO
Durchschnittliche Molmasse: 219,46 g/mol
Monoisotopische Masse: 217,91340453

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-chlorobenzaldehyde
IUPAC: 2-bromo-4-chlorobenzaldehyde
Englischer Name: 2-Bromo-4-chlorobenzaldehyde
Summenformel: C7H4BrClO
Molmasse: 219.46

Namen und Synonyme

2-bromo-4-chlorobenzaldehyde84459-33-6DTXSID70522764RefChem:257184DTXCID20473570800-465-7Benzaldehyde,2-bromo-4-chloro-MFCD090567924-Chloro-2-bromobenzaldehyde2-bromo-4-chloro-benzaldehydeBenzaldehyde, 2-bromo-4-chloro-SCHEMBL380731

Weitere Namen anzeigen

2-BroMo-4-chlorobenaldehyde2-BroMo-4-chlorobenaldehy...2 - broMine - 4 - chlorobenzene forMaldehyde2-Bromo-4-chlorobenzaldehyde ISO 9001：2015 REACH

CS-W004748GS-4440B5524EN300-107015Z1269165294SCHEMBL27013082-Bromo-4-chlorobenzaldehyde, 97%AKOS015890305

Datenbank-Bezeichner

CAS: 84459-33-6
PubChem CID: 13154710
DTXSID: DTXSID70522764
EC Number: 800-465-7
Nikkaji: J2.965.798J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 69 to · 69.0 to 73.0 °C
Siedepunkt: 264.6 · 264.6±20.0 °C(Predicted)
Dichte: 1.698 · 1.698±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
InChI: InChI=1S/C7H4BrClO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
InChIKey: AJOAHIKYBSZIEV-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(Cl)C=C1Br

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)

Sicherheitsdaten

wgk: 3
hs_code: 2913000090
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2-Bromo-4-chlorobenzaldehyde is an important organic synthesis intermediate and pharmaceutical intermediate, widely used in laboratory research and chemical production processes.