2-Chlorobenzyl chloroformate

HCID 4072342CAS 39545-31-8

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Grundinformationen

Standard-SMILES: O=C(Cl)OCc1ccccc1Cl
InChIKey: GCCKNHYFOVQZRG-UHFFFAOYSA-N
Summenformel: C8H6Cl2O2
Durchschnittliche Molmasse: 205,03 g/mol
Monoisotopische Masse: 203,9744848

Namen und Bezeichner

Bevorzugter Name: 2-Chlorobenzyl chloroformate
IUPAC: (2-chlorophenyl)methyl carbonochloridate
Englischer Name: 2-CHLOROBENZYL CHLOROFORMATE
Summenformel: C8H6Cl2O2
Molmasse: 205.04

Namen und Synonyme

2-Chlorobenzyl chloroformate39545-31-8(2-chlorophenyl)methyl carbonochloridateDTXSID60399023RefChem:470393DTXCID20349882627-610-52-Chlorobenzyl carbonochloridateMFCD008045412-Chlorobenzylchloroformate2-Chlorobenzylcarbonochloridate(2-chlorophenyl)methyl Chloroformate

Weitere Namen anzeigen

2-CHLOROBENZYL HLOROFORMATECHLORAMEISENSAEURE-2-CHLORBENZYLESTER 97Carbonochloridic acid,(2-chlorophenyl)methyl ester

o-Chlorobenzylchloroformate2-CL-Z-CLSCHEMBL1408142-Chlorobenzyl chloroformate 97%GCCKNHYFOVQZRG-UHFFFAOYSA-N2-Chlorobenzyl chloroformate, 97%2-CHLOROPHENZYL CHLOROFORMATEAKOS015891074

Datenbank-Bezeichner

CAS: 39545-31-8
PubChem CID: 4072342
DTXSID: DTXSID60399023
EC Number: 627-610-5
Nikkaji: J1.813.655D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Siedepunkt: 50 °C100 · 50 °C100 mm Hg(lit.)
Dichte: 1.339 g/mL · 1.339 g/mL at 25 °C(lit.)
Dampfdruck: 1.36 psi · 1.36 psi ( 20 °C)
Brechungsindex: 20 · n20/D 1.536(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
InChI: 1S/C8H6Cl2O2/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2
InChIKey: GCCKNHYFOVQZRG-UHFFFAOYSA-N
SMILES: ClC(=O)OCc1ccccc1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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. 3 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)；Eye Dam. 1 (100%)；Acute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3277 6.1/PG 2
risk_code: 23/24/25-34
hazard_code: T,C
safety_code: 26-36/37/39-45
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B