비스(2-클로로에틸) 에테르

2,2'-디클로로에틸에테르 · 2-클로로에틸에테르 · 디클로로에틸에테르 · 비스(2-클로로에틸)에테르 · 비스(2-클로로에틸)에터 · 비스(2-클로로에틸) 에테르 · 디클로로에틸산화물 · 베타,베타-디클로로에틸에테르

https://huagongshe.com/ko/chemical/8115

식별자 및 물리적 특성

CAS No.	111-44-4
분자식	C4H8Cl2O
평균 분자량	143.01 g/mol
단동위원소 질량	141.9952203 g/mol
SMILES	ClCCOCCCl
InChIKey	ZNSMNVMLTJELDZ-UHFFFAOYSA-N
PubChem CID	8115
ChEMBL	CHEMBL1613350
ChEBI	CHEBI:34573
EC No.	203-870-1
DTXSID	DTXSID9020168
현지명	비스(2-클로로에틸) 에테르

화학 및 물리적 성질

XLogP	1.3
극성 표면적	9.2
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	7
형식 전하	0
복잡도	28
LogP(분배 계수)	log Kow= 1.29
냄새	PUNGENTNAUSEATING ODOR RESEMBLING ETHYLENE DICHLORIDESWEET, LIKE CHLOROFORM... Chlorinated solvent-like odor.클로로포름처럼 달콤해요.
밀도	1.22 at 68 °F (EPA, 1998) - Denser than waterwill sink1.22 @ 20 °C/20 °C% IN "SATURATED" AIR @ 25 °C, 760 MM HG: 0.18DENSITY OF "SATURATED" AIR @ 25 °C, 760 MM HG: 1.007Relative density (water = 1): 1.221.22 @ 20°C1.22 g/mL at 25 °C(lit.)
Viscosity	2.0653 cP @ 25 °C
Color/Form	COLORLESS, CLEAR LIQColorless liquid ...
용해도	Reaction (NTP, 1992)MISCIBLE WITH AROMATIC BUT NOT PARAFFIN HYDROCARBONSSOL IN ALC, ETHER, ACETONE, BENZENE1.1 wt% water @ 20 °CSoluble in oxygenated solvents and aromatic solventsIn water, 10,200 mg/l at 20 °C0.01g/L
Corrosivity	NOT VERY CORROSIVE TO IRON, MILD STEEL, OR ALUMINUM.
인화점	131 °F (EPA, 1998)63 °C (CLOSED CUP)55 °C c.c.
끓는 점	352 °F at 760 mmHg (EPA, 1998)178.5 °C178 °C178.5 °C @760 [mm Hg]65-67 °C15 mm Hg(lit.)
Decomposition	WHEN HEATED TO DECOMP, EMITS HIGHLY TOXIC FUMES OF /HYDROGEN CHLORIDE/.
녹는점	-58 °F (EPA, 1998)-51.9 °C-50 °C−47 °C(lit.)
증기 밀도	4.93 (EPA, 1998) - Heavier than airwill sink (Relative to Air)4.93 (AIR= 1)Relative vapor density (air = 1): 4.9
증기압	0.4 mm Hg ( 20 °C)
굴절률	n20/D 1.456(lit.)
저장 조건	Store at <= 20°C.
물리적 상태	무색의 액체
색상	무색 내지 거의 무색
폭발한계	0.8%(V)
용해도	약간 용해됨. 1.72g/100mL
비열	Cp(liquid): 1.54 J/(g·K), at 25℃
Merck	14,3066
BRN	605317
헨리 상수	(x 10-5 atmm3/mol): 124.7, 15.8, 72.0, 12.5, and 1.38 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Howe et al., 1987)
유전율	20.789999999999999
안정성	안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI	1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
InChIKey	ZNSMNVMLTJELDZ-UHFFFAOYSA-N
SMILES	ClCCOCCCl
LogP(분배 계수)	1.12-1.56 at 20℃
NIST	Beta,beta'-dichloroethyl ether(111-44-4)
EPA	Bis(2-chloroethyl) ether (111-44-4)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류	DangerH300: Fatal if swallowed [Danger Acute toxicity, oral]H310: Fatal in contact with skin [Danger Acute toxicity, dermal]H330: Fatal if inhaled [Danger Acute toxicity, inhalation]H351: Suspected of causing cancer [Warning Carcinogenicity]P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
규제 정보	Chemical: Ethane, 1,1'-oxybis[2-chloro-Hazard Traits - CarcinogenicityAuthoritative List - CA TACsCWA 303(c)CWA 303(d)IRIS Carcinogens - B2Prop 65Report - regardless of intended function of ingredient in the productEthane, 1,1'-oxybis[2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1'-oxybis[2-chloro- 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: 09-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20699Status: Active Update: 09-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13909Bis(2-chloroethyl) ether: HSNO Approval: HSR002958 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
기타 안전 정보	IMAP assessments - Ethane, 1,1'-oxybis[2-chloro-: Human health tier II assessment
운송 라벨(DOT)	Poison Flammable Liquid
화재 위험	May form phosgene or hydrogen chloride in fires. There is danger of explosion when ethers are heated or exposed to flames or sparks. Ethers tend to form peroxideswhen ethers containing peroxides are heated, they can detonate. May be ignited by heat, sparks, or flames. Container may explode in heat of fire. Vapor explosion and poison hazard indoors, outdoors or in sewers. Decomposes in the presence of moisture to form hydrochloric acid. Emits toxic fumes when heated to decomposition. Reacts vigorously with oleum and chlorosulfonic acid. Ethers tend to form peroxides upon standing. Heating peroxide-containing ethers can cause detonation. (EPA, 1998)

용도

Reagent for organic synthesis; solvent. Has been used as a scouring agent for textiles; as soil fumigant.

일반 설명

A clear colorless liquid with a sweet pleasant or nauseating odor. Flash point 131°F. Denser than water and insoluble in water. Toxic by inhalation and skin absorption. Used in cleaning compounds, paints, textile finishing, and as a general solvent.