2,5-Dimethylbenzoyl chloride

HCID 12351885

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Grundinformationen

CAS: 22328-43-4
Standard-SMILES: Cc1ccc(C)c(C(=O)Cl)c1
InChIKey: MGBRPGMQNVRQCG-UHFFFAOYSA-N
Summenformel: C9H9ClO
Durchschnittliche Molmasse: 168,62 g/mol
Monoisotopische Masse: 168,0341926

Namen und Bezeichner

Bevorzugter Name: 2,5-Dimethylbenzoyl chloride
IUPAC: 2,5-dimethylbenzoyl chloride
Englischer Name: Benzoyl chloride, 2,5-dimethyl- (6CI,7CI,8CI,9CI)
Summenformel: C9H9ClO
Molmasse: 168.62

Namen und Synonyme

2,5-Dimethylbenzoyl chloride22328-43-4DTXSID50493387RefChem:247612DTXCID50444197824-139-92,5-dimethylbenzoylchlorideMFCD00045218Benzoyl chloride, 2,5-dimethyl- (6CI,7CI,8CI,9CI)SCHEMBL1311663MGBRPGMQNVRQCG-UHFFFAOYSA-NALBB-034794

Weitere Namen anzeigen

BENZOYL CHLORIDE,2,5-DIMETHYL-

XAA32843AKOS007930321FS-50222,5-dimethyl-1-benzenecarbonyl chlorideDB-355300EN300-78737F81616F062603

Datenbank-Bezeichner

CAS: 22328-43-4
PubChem CID: 12351885
DTXSID: DTXSID50493387
EC Number: 824-139-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Siedepunkt: 239.3 · 239.3±9.0 °C(Predicted)
Dichte: 1.136 · 1.136±0.06 g/cm3(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.