1,2,4,5-テトラクロロベンゼン

1,2,4,5-テトラクロロベンゼン · 1,2,4,5-テトラクロロベンゼン標準品 · 1,2,4,5-四塩化ベンゼン · １，２，４，５テトラクロロベンゼン · 1,2,4,5‐テトラクロロベンゼン · 1,2,4,5‐テトラクロロベンゼン標準品 · 1,2,4,5-tcb · 1.2.4.5-Tetrac

https://huagongshe.com/ja/chemical/7270

識別子と物理属性

CAS No.	12408-10-5
分子式	C6H2Cl4
平均分子量	215.9 g/mol
単同位体質量	213.89106078 g/mol
SMILES	Clc1cc(Cl)c(Cl)cc1Cl
InChIKey	JHBKHLUZVFWLAG-UHFFFAOYSA-N
PubChem CID	7270
ChEMBL	CHEMBL45428
ChEBI	CHEBI:36697
EC No.	202-466-2
DTXSID	DTXSID7024320
現地名	1,2,4,5-テトラクロロベンゼン

化学・物理的性質

XLogP	4.6
極性表面積	0
水素結合供与体数	0
水素結合受容体数	0
回転可能結合数	0
重原子数	10
形式電荷	0
複雑度	90.3
Solvents	Solvents -> Chlorinated Aromatics
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
農薬	Pesticide -> EPA IRIS
LogP（分配係数）	Log Kow= 4.604.9
臭い	STRONG, UNPLEASANT ODOR
密度	1.858 at 70 °F (NTP, 1992) - Denser than waterwill sink1.833 kg/lHeat of fusion: 112.2 J/gheat capacity for liquid: 1.142 J/gcritical density: 0.475 kg/l1.83 g/cm³1.858 @ 22°C
Color/Form	COLORLESS SUBLIMABLE NEEDLES
溶解度	less than 1 mg/mL at 70 °F (NTP, 1992)Slightly soluble in ethanolsoluble in ether and benzeneIn water, 0.595 mg/l at 25 °C.Solubility in water, mg/l at 25 °C: 2.160.0003g/l不溶。 <0.1 g/100 mL で 21 ºC
引火点	311 °F (NTP, 1992)311 °F (155 °C) (closed cup)155 °C c.c.>230 °F
沸点	464 to 475 °F at 760 mmHg (NTP, 1992)244.5 °C243-246 °C244.5 °C @760 [mm Hg]240-246 °C(lit.)
Decomposition	WHEN HEATED TO DECOMPOSITION IT EMITS HIGHLY TOXIC FUMES OF /HYDROGEN CHLORIDE/.
融点	280 to 284 °F (NTP, 1992)139.5 °C139-140 °C139 °C
蒸気圧	5 at 25 °C (extrapolated, Mackay et al., 1982)
屈折率	1.5348 (estimate)
貯蔵条件	0-6°C
外観・状態	結晶性固体
色	薄いピンクからグレー
BRN	1618315
ヘンリー定数	0.10 at 20 °C (gas stripping-GC, Oliver, 1985)
安定性	安定。可燃性。強力な酸化剤とは相容れない。アルカリ性メタノール溶液と爆発的に反応する。
InChI	1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
InChIKey	JHBKHLUZVFWLAG-UHFFFAOYSA-N
SMILES	Clc1cc(Cl)c(Cl)cc1Cl
CAS データベース	95-94-3(CAS DataBase Reference)
NISTの化学物質情報	Benzene, 1,2,4,5-tetrachloro-(95-94-3)
EPAの化学物質情報	1,2,4,5-Tetrachlorobenzene (95-94-3)

化学的特性

white solid

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 1.1% (1 of 94) of reports.WarningH302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]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, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 94 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger
規制情報	Hazard Traits - BioaccumulationEnvironmental PersistenceS - indicates a substance that is identified in a final Significant New Use Rule.The 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.)
輸送ラベル（DOT）	Class 9
火災危険	This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion on contact with oxidizing agents.
火災の可能性	Combustible when exposed to heat or flame.
健康有害性	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract.
有害性の概要	If burned, toxic fumes include hydrogen chloride and phosgeneChronic feeding studies of animals show evidence of damage to liver, kidneys, lungs, and thyroid glandLD50 (oral, rat, male) = 3105 mg/kgAt lethal doses, animals have CNS depression, diarrhea, and coma[CHEMINFO]
反応性グループ	Aryl Halides
Special Reports	USEPAAmbient Water Quality Criteria Doc: Chlorinated Benzenes (1980) EPA 440/5-80-028Health Assessment Document: Chlorinated Benzenes (1985) EPA 600/8-84-01551 FR 24657-67 (1986) Chlorinated benzenes

用途

殺菌剤、除草剤の合成、電気絶縁体、耐湿性含浸剤

使用

1,2,4,5-Tetrachlorobenzene was used to study the environmental behavior of hexachlorobutadiene (HCBD).

製法・合成法

純化方法

Crystallise it from EtOH, ether, *benzene, *benzene/EtOH or carbon disulfide. [Beilstein 5 IV 668.]