디클로로아세톤

디클로로아세톤 · 1,1-다이클로로아세톤 · 1,1-디클로로아세톤 · 1,1-Dichloropropanone · 1,1-DICHLORO-2-PROPANONE · 1,1-DCA · 1,1-DICHLOROPROPAN-2-ONE · 2-Propanone, 1,1-dichloro-

https://huagongshe.com/ko/chemical/10567

식별자 및 물리적 특성

CAS No.	30605-38-0
분자식	C3H4Cl2O
평균 분자량	126.97 g/mol
단동위원소 질량	125.96392011 g/mol
SMILES	CC(=O)C(Cl)Cl
InChIKey	CSVFWMMPUJDVKH-UHFFFAOYSA-N
PubChem CID	10567
ChEMBL	CHEMBL3188688
EC No.	208-175-7
DTXSID	DTXSID7021576
현지명	디클로로아세톤

화학 및 물리적 성질

XLogP	1.3
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	6
형식 전하	0
복잡도	59.8
물질 분류	Volatile Organic Compound (VOC)
SpringerMaterials Properties	Schoenflies notation
밀도	1.304 g/cu cm at 18 °C1.327 g/mL at 25 °C(lit.)
용해도	Sol in ethyl alcoholmiscible in ethyl ether클로로포름(약간 용해됨), 메탄올(약간 용해됨)
끓는 점	120 °C117-118 °C(lit.)
Decomposition	When heated to decomposition it emits toxic vapors of /hydrogen chloride/.
증기압	27 mm Hg at 25 °C
Other Experimental Properties	Boiling with sodium carbonate gives acrylic acid
굴절률	n20/D 1.446(lit.)
인화점	99-100 °F
저장 조건	Flammables area
물리적 상태	기름
색상	무색
Merck	14,3051
BRN	1740214
헨리 상수	3.3×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
안정성	휘발성 물질
주요 응용	환경
InChI	InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
InChIKey	CSVFWMMPUJDVKH-UHFFFAOYSA-N
SMILES	C(Cl)(Cl)C(=O)C
EPA	1,1-Dichloropropanone (513-88-2)

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

GHS 분류	DangerH226 (97.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 2-Propanone, 1,1-dichloro-Status: Active Update: 01-03-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/171401,1-Dichloroacetone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 3 (97.4%)
처리 방법	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
환경 거동	TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 6.0(SRC), determined from a structure estimation method(2), indicates that 1,1-dichloroacetone is expected to have very high mobility in soil(SRC). Volatilization of 1,1-dichloroacetone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 6.15X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 1,1-Dichloroacetone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 27 mm Hg(4). Biodegradation data were not available(SRC, 2008).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 6.0(SRC), determined from a structure estimation method(2), indicates that 1,1-dichloroacetone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 6.1X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 7 days and 53 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 0.20(5) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is very high(SRC). Biodegradation data were not available(SRC, 2008).