2-Chloro-1,4-dimethoxybenzene

2,5-DIMETHOXYCHLOROBENZENE · CHLORO-2,5-DIMETHOXYBENZENE · O-CHLORO-P-DIMETHOXYBENZENE · 1-Chlor-2,5-dimethoxybenzol · Chloro-1,4-dimethoxybenzene · 1,4-Dimethoxy-2-chlorophenol · 1-CHLORO-2,5-DIMETHOXYBENZENE · 2-CHLORO-1,4-DIMETHOXYBENZENE

https://huagongshe.com/ko/chemical/246724

식별자 및 물리적 특성

CAS No.	2100-42-7
분자식	C8H9ClO2
평균 분자량	172.61 g/mol
단동위원소 질량	172.0291072 g/mol
SMILES	COc1ccc(OC)c(Cl)c1
InChIKey	QMXZSRVFIWACJH-UHFFFAOYSA-N
PubChem CID	246724
ChEMBL	CHEMBL4561202
ChEBI	CHEBI:194668
EC No.	218-267-9
DTXSID	DTXSID3041403

화학 및 물리적 성질

XLogP	2.7
극성 표면적	18.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	119
Kovats Retention Index	1312.913651356.2
녹는점	8.1 °C
끓는 점	247 °C (759.8513 mmHg)
밀도	1.21
증기압	0.02-2.4Pa at 20-50℃
굴절률	1.5452-1.5472
인화점	117 °C
저장 조건	Sealed in dry,Room Temperature
물리적 상태	투명한 액체
색상	무색 내지 거의 무색
비중	1.23
용해도	실질적으로 불용성
LogP(분배 계수)	2.7 at 23℃ and pH6-8
NIST	Benzene, 2-chloro-1,4-dimethoxy-(2100-42-7)
EPA	2-Chloro-1,4-dimethoxybenzene (2100-42-7)

화학적 성질

clear light pink to green or blue liquid

안전 및 규제

GHS 분류	WarningH302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (62.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (12.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 4 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.
규제 정보	Status: Active Update: 21-04-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1900
Hazard Classes and Categories	Acute Tox. 4 (37.5%)Skin Irrit. 2 (87.5%)Eye Irrit. 2 (62.5%)STOT SE 3 (62.5%)Aquatic Chronic 3 (12.5%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	2909309090
위험 문구(R)	36/37/38-22
위험 표시	Xn
안전 문구(S)	37/39-26

용도

2-chloro-1,4-dimethoxy-Benzene is a useful reactant which has been used in Suzuki cross-coupling reactions of aryl chlorides with arylboronic acids.