Methyl 2-(carbonochloridoyl)benzoate

HCID 11159939

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Grundinformationen

CAS: 4397-55-1
Standard-SMILES: COC(=O)c1ccccc1C(=O)Cl
InChIKey: GNBWUEAMCSHHMO-UHFFFAOYSA-N
Summenformel: C9H7ClO3
Durchschnittliche Molmasse: 198,6 g/mol
Monoisotopische Masse: 198,0083718

Namen und Bezeichner

Bevorzugter Name: Methyl 2-(carbonochloridoyl)benzoate
IUPAC: methyl 2-carbonochloridoylbenzoate
Englischer Name: methyl 2-(chlorocarbonyl)benzoate
Summenformel: C9H7ClO3
Molmasse: 198.6

Namen und Synonyme

Benzoic acid, 2-(chlorocarbonyl)-, methyl estermethyl 2-(carbonochloridoyl)benzoateRefChem:813654695-403-7methyl 2-(chlorocarbonyl)benzoate4397-55-1Methyl 2-carbonochloridoylbenzoateMethyl phthaloyl chlorideMFCD116560392-carbomethoxybenzoylchloride2-carbomethoxyben-zoylchloridemethoxycarbonylbenzoyl chloride

Weitere Namen anzeigen

RMA-133Methyl phthaloyl chloride 97%Methyl 2-chloroformylbenzoateo-Carbomethoxybenzoyl chlorideo-Methoxycarbonylbenzoyl chloride2-METHOXYCARBONYLBENZOYL CHLORIDEPhthalic acid monochloride monomethyl esterphthalic monoacid monomethyl ester chloride

SCHEMBL305237o-methoxycarbonylbenzoylchloridemethyl 2-(chloroformyl)benzoateMethyl phthaloyl chloride, 97%DTXSID70457229GNBWUEAMCSHHMO-UHFFFAOYSA-N2-(methoxycarbonyl)benzoyl chlorideEAA39755

Datenbank-Bezeichner

CAS: 4397-55-1
PubChem CID: 11159939
DTXSID: DTXSID70457229
EC Number: 695-403-7
Nikkaji: J456.476F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 215

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C
Aggregatzustand: oil
Farbe: Yellow
InChI: 1S/C9H7ClO3/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3
InChIKey: GNBWUEAMCSHHMO-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1C(Cl)=O

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]

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, 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.