5-Bromo-2-chlorobenzoyl chloride

HCID 2756871CAS 21900-52-7

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Grundinformationen

Standard-SMILES: O=C(Cl)c1cc(Br)ccc1Cl
InChIKey: TZIQQJRRMJWMDI-UHFFFAOYSA-N
Summenformel: C7H3BrCl2O
Durchschnittliche Molmasse: 253,9 g/mol
Monoisotopische Masse: 251,87443

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-chlorobenzoyl chloride
IUPAC: 5-bromo-2-chlorobenzoyl chloride
Englischer Name: 5-Bromo-2-chloro-benzoyl chloride
Summenformel: C7H3BrCl2O
Molmasse: 253.91

Namen und Synonyme

5-bromo-2-chlorobenzoyl chloride21900-52-7Benzoyl chloride, 5-bromo-2-chloro-DTXSID80373603RefChem:102117DTXCID80324635606-860-9TZIQQJRRMJWMDI-UHFFFAOYSA-N5-Bromo-2-chloro-benzoyl chlorideMFCD032089782-chloro-5-bromobenzoic acid chlorideDapagliflozin Impurity N50

Weitere Namen anzeigen

Dapagliflozin Impurity 70Dapagliflozin Impurity 55Dapagliflozin Impurity 70 CRS

SCHEMBL18163SCHEMBL303563855-Bromo-2-chloro-benzoylchloride2-chloro-5-bromo-benzoyl chloride37382CS4RM5-bromo-2-chloro benzoyl chlorideSTR10324AKOS009476110

Datenbank-Bezeichner

CAS: 21900-52-7
PubChem CID: 2756871
DTXSID: DTXSID80373603
UNII: 37382CS4RM
EC Number: 606-860-9
Nikkaji: J2.198.474D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 281.4 · 281.4±25.0 °C(Predicted)
Dichte: 1.763 · 1.763±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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.