2,4-디클로로톨루엔

2,4-다이클로로톨루엔 · 2,4-디클로로톨루엔 · 2,4-DCT · 2,4-dichloro-1-methylbenzene · 2,4-Dichlortoluol · 4-DCT · 2.4-Dichloroto · 2,4-Dichlorotoluol

https://huagongshe.com/ko/chemical/7254

식별자 및 물리적 특성

CAS No.	95-73-8
분자식	C7H6Cl2
평균 분자량	161.03 g/mol
단동위원소 질량	159.98465555 g/mol
SMILES	Cc1ccc(Cl)cc1Cl
InChIKey	FUNUTBJJKQIVSY-UHFFFAOYSA-N
PubChem CID	7254
ChEBI	CHEBI:81651
EC No.	202-445-8
DTXSID	DTXSID5040702
현지명	2,4-디클로로톨루엔

화학 및 물리적 성질

XLogP	4.2
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	92.9
Solvents	Solvents -> Chlorinated Aromatics
SpringerMaterials Properties	Angular frequency
LogP(분배 계수)	Log Kow= 4.244.09
밀도	1.2498 (NTP, 1992) - Denser than waterwill sink1.2476 @ 20 °C/20 °C1.25 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.021.246 g/mL at 25 °C (lit.)
Color/Form	Colorless liquid
용해도	INSOL IN WATERSolubility in water, g/100ml at 20 °C: (very poor)
인화점	93 °C199 °F, open cup87 °C c.c.175 °F
끓는 점	385 to 387 °F at 760 mmHg (NTP, 1992)201 °C @ 760 mm Hgat 101.3kPa: 200 °C200 °C (lit.)
녹는점	7.7 °F (NTP, 1992)-13.5 °C-14 °C
증기 밀도	Relative vapor density (air = 1): 5.56
증기압	0.45 [mmHg]0.458 mm Hg at 25 °CVapor pressure, kPa at 50 °C: 0.44 hPa (50 °C)
Surface Tension	38.29 dynes/cm @ 25 °C
굴절률	n20/D 1.546(lit.)
저장 조건	Store below +30°C.
물리적 상태	액체
색상	무색의
용해도	섞일 수 없음
BRN	1931691
헨리 상수	2.7×10-3 mol/(m3Pa) at 25℃, Schwardt et al. (2021)
InChI	1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey	FUNUTBJJKQIVSY-UHFFFAOYSA-N
SMILES	Cc1ccc(Cl)cc1Cl
NIST	Benzene, 2,4-dichloro-1-methyl-(95-73-8)
EPA	2,4-Dichlorotoluene (95-73-8)

화학적 성질

It is a clear colorless liquid that is insoluble in water but can be mixed with ethanol, ether, and benzene. It is primarily used as a pesticide and pharmaceutical intermediate, but also serves as a solvent.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 5.8% (4 of 69) of reports.WarningH315 (27.5%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P271, P273, P280, P302+P352, P304+P340, P318, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzene, 2,4-dichloro-1-methyl-Status: Active Update: 06-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13164
운송 라벨(DOT)	Poison
화재 위험	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 87 °C explosive vapour/air mixtures may be formed.
화재 가능성	COMBUSTIBLE /DICHLOROTOLUENE/Fire point: 383 °F, open cup
건강 유해성	Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
유해성 요약	May be a strong irritant[HSDB] In high-dose animal studies, causes somnolence, elevation of liver enzymes, fatty liver degeneration, and acute tubular necrosis[RTECS]The major hazards encountered in the use and handling of 2,4-dichlorotoluene stem from its toxicologic properties and flammability. Exposure to 2,4-dichlorotoluene may occur via inhalation or dermal routes, primarily resulting from occupational activities including those associated with its use as a high boiling solvent and as an intermediate in organic synthesis. Because it is a strong irritant, personnel involved with 2,4-dichlorotoluene should wear boots, protective gloves, and goggles, at a minimum. Avoid breathing vapor or, to enter a contaminated area freely, wear full face mask self-contained breathing apparatus which provides eye protection. Broken packages containing 2,4-dichlorotoluene should not be handled without protective equipment. Any of this material which contacts the body must be washed away with copious amounts of water. While substance must be moderately heated before ignition occurs (flashpoint: 199 °F, open cup), 2,4-dichlorotoluene is, nevertheless, considered a combustion hazard. Normal fire fighting procedures may be employed, which includes the use of "alcohol" foam, or dry chemical extinguishing agents. Water also may be used in flooding quantities as a fog or spray (solid streams may be ineffective) to extinguish the fire or cool containers. Application of water should be from as far a distance as possible. This substance is considered to be normally stable, even under fire exposure conditions. Nonetheless, it should be stored away from sparks, flames, or other sources ignition. Shipping regulations and other DOT regulatory requirements should be consulted before transport. If 2,4-dichlorotoluene spills, keep material out of water sources and sewers

용도

2,4-Dichlorotoluene was used as an oxidant and a solvent during anaerobic catalytic oxidation of secondary alcohols by using an in situ (N-heterocyclic carbene)-Ni(0) system. It was used as growth supplement in the culture media of Ralstonia sp. strain PS12. It was used to develop a sensitive method based on solid-phase microextraction followed by gas chromatography-tandem mass spectrometry for the analysis of chlorotoluenes in water samples.

일반 설명

Clear colorless liquid.

제조 및 합성 방법

제조 방법

2,4-Dichlorotoluene is synthesized by diazotization and chlorination with 2,4-diaminotoluene as raw material. First, hydrochloric acid and water into the reaction pot, heated to 50°C, stirring under the dissolution of 2,4-diaminotoluene, then hydrochloric acid and cuprous chloride into the pot, the 1% sodium nitrite solution evenly added, the temperature is maintained at about 60°C, resting stratification, the lower layer of crude product washed with water to neutral, add alkali to alkaline, and then water to remove the alkali, divided 2,4-dichlorotoluene crude product, water distillation of finished products.