2-Chlorobenzyl chloroformate

HCID 4072342

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기본 정보

CAS: 39545-31-8
표준 SMILES: O=C(Cl)OCc1ccccc1Cl
InChIKey: GCCKNHYFOVQZRG-UHFFFAOYSA-N
분자식: C8H6Cl2O2
평균 분자량: 205.03 g/mol
단동위원소 질량: 203.9744848

이름 및 식별자

우선 이름: 2-Chlorobenzyl chloroformate
IUPAC: (2-chlorophenyl)methyl carbonochloridate
영어명: 2-CHLOROBENZYL CHLOROFORMATE
분자식: C8H6Cl2O2
분자량: 205.04

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 161

물리화학적 성질

끓는 점: 50 °C100 · 50 °C100 mm Hg(lit.)
밀도: 1.339 g/mL · 1.339 g/mL at 25 °C(lit.)
증기압: 1.36 psi · 1.36 psi ( 20 °C)
굴절률: 20 · n20/D 1.536(lit.)
인화점: 230 °F · >230 °F
저장 조건: 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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)；Eye Dam. 1 (100%)；Acute Tox. 3 (100%)

안전 데이터

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
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials