트리클로로벤젠

트리클로로벤젠 · Pyranol 1478 · TRI-CHLOROBENZENES · Trichlorobenzol (All Isomers)

식별자 및 물리적 특성

CAS No.	12002-48-1
분자식	C6H3Cl3
평균 분자량	181.4 g/mol
단동위원소 질량	179.93003314 g/mol
SMILES	Clc1cccc(Cl)c1Cl
InChIKey	RELMFMZEBKVZJC-UHFFFAOYSA-N
PubChem CID	6895
ChEMBL	CHEMBL46557
ChEBI	CHEBI:35289
EC No.	201-757-1
DTXSID	DTXSID8026193
현지명	트리클로로벤젠

화학 및 물리적 성질

XLogP	4.1
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	84.3
물질 분류	Volatile Organic Compound (VOC) (Semi-Volatile Organic Compound (SVOC))
Solvents	Solvents -> Chlorinated Aromatics
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP(분배 계수)	log Kow = 4.05
밀도	1.69 at 77 °F (USCG, 1999) - Denser than waterwill sink1.4533 g/cu cm at 25 °C1.45 g/cm³1.4533 @25 °C1.4560
Viscosity	1.68 mPa.s at 50 °C
Color/Form	Platelets from alcoholWhite crystals
용해도	Insoluble (NTP, 1992)Slightly soluble in ethanolvery soluble in ether and benzeneSparingly sol in alcoholfreely sol in carbon disulfideIn water, 18 mg/L at 25 °C.Solubility in water: very poor
인화점	234.9 °F (NTP, 1992)113 °C112.7 °C (closed cup)112.7 °C c.c.
끓는 점	424 to 426 °F at 760 mmHg (NTP, 1992)218.5 °C218.5 °C @760 [mm Hg]208.89°C (estimate)
Decomposition	When heated to decomposition it emits toxic vapors of /hydrogen chloride/.
녹는점	126.7 °F (NTP, 1992)51.3 °C53.5 °C40.25°C
굴절률	1.5693 (estimate)
EPA	Trichlorobenzene (12002-48-1)

안전 및 규제

TSCA 요건
GHS 분류	This chemical does not meet GHS hazard criteria for 0.7% (1 of 153) of reports.WarningH302 (30.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 153 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 11.9% (5 of 42) of reports.
규제 정보	Chemical: Benzene, 1,2,3-trichloro-Hazard Traits - BioaccumulationEnvironmental PersistenceStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19481,2,3-Trichlorobenzene: Does not have an individual approval but may be used under an appropriate group standard
운송 라벨(DOT)	Poison
화재 위험	Special Hazards of Combustion Products: May emit toxic hydrogen chloride and phosgene gases in fire.Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
화재 가능성	Slight when exposed to heat, flame, or oxidizers
건강 유해성	Inhalation may cause irritation of respiratory tract. Irritating to the eyes. May redden skin on contact. Ingestion may cause liver damage. (USCG, 1999)
유해성 요약	Danger of cutaneous absorption[MAK] An eye and respiratory tract irritant[ICSC] A moderate skin irritantCauses liver changes in animal studies[HSDB] Toxic by ingestion and inhalation. [Hawley] An irritant[MSDSonline]
반응성 그룹	Aryl Halides
UN 분류	UN Hazard Class: 9
Special Reports	USEPAAmbient Water Quality Criteria Doc: Chlorinated Benzenes (1980) EPA 440/5-80-028.

용도

일반 설명

A colorless to clear yellowish liquid with a sweet almond-like odor. Flash point 210°F. Practically insoluble in water and denser than water. Toxic by ingestion, inhalation and skin absorption. Used to make pesticides, dyes, and other chemicals.