o-클로로벤질클로라이드

1-클로로-2-(클로로메틸)벤젠 · o-클로로벤질클로라이드 · 2-클로로벤질 클로라이드 · O-CHLOROBENZYL CHLORIDE · OCBC · O-chlorobenzyl · AKOS BBS-00004019 · ,2-Dichlorotoluene

https://huagongshe.com/ko/chemical/11906

식별자 및 물리적 특성

CAS No.	40795-52-6
분자식	C7H6Cl2
평균 분자량	161.03 g/mol
단동위원소 질량	159.98465555 g/mol
SMILES	ClCc1ccccc1Cl
InChIKey	BASMANVIUSSIIM-UHFFFAOYSA-N
PubChem CID	11906
ChEMBL	CHEMBL3187054
EC No.	210-258-8
DTXSID	DTXSID3027241
현지명	o-클로로벤질클로라이드

화학 및 물리적 성질

XLogP	3.2
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	83
물질 분류	Other Classes -> Halogenated Monoaromatics
SpringerMaterials Properties	Density
LogP(분배 계수)	3.32
밀도	1.3 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.001.274 g/mL at 25 °C (lit.)
Viscosity	1.95 mm²/s at 20 °C
용해도	Solubility in water, g/100ml at 25 °C: 0.01 (very poor)
인화점	91 °C180 °F
끓는 점	213 °C213-214 °C (lit.)
녹는점	-17 °C-13 °C
증기 밀도	Relative vapor density (air = 1): 5.55.5 (vs air)
증기압	0.15 [mmHg]Vapor pressure, kPa at 25 °C: 0.023 mm Hg ( 84 °C)
Physical Description	LiquidClear, colorless liquid with a pungent odor[OECD SIDS: Benzene, 1-chloro-2-(chloromethyl)- - 2003]COLOURLESS LIQUID WITH PUNGENT ODOUR.
굴절률	n20/D 1.559(lit.)
저장 조건	2-8°C
물리적 상태	액체
색상	무색투명~미황색
폭발한계	1.5-7.8%(V)
용해도	불용성
BRN	471700
헨리 상수	6.4×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI	1S/C7H6Cl2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
InChIKey	BASMANVIUSSIIM-UHFFFAOYSA-N
SMILES	ClCc1ccccc1Cl
LogP(분배 계수)	3.32 at 25℃ and pH6.4
NIST	Benzene, 1-chloro-2-(chloromethyl)-(611-19-8)
EPA	2-Chlorobenzyl chloride (611-19-8)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.5% (1 of 189) of reports.DangerH302+H312+H332 (75.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 189 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzene, 1-chloro-2-(chloromethyl)-Benzene, 1-chloro-2-(chloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-2-(chloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 22-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/139262-Chlorobenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard
화재 위험	Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 91 °C explosive vapour/air mixtures may be formed.
유해성 요약	A skin, eye, and respiratory tract irritantCan be absorbed through skin[ICSC] Reacts slowly with water producing hydrogen chloride[CAMEO] Irritating but not corrosive to skin of rabbitsNo reliable skin sensitization data available[OECD SIDS: Benzene, 1-chloro-2-(chloromethyl)- - 2003] Causes burnsA lachrymatorInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by inhalationHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See Chlorobenzyl chlorides.
UN 분류	UN Hazard Class: 6.1