Hexachlorocyclopentadiene

識別子と物理属性

CAS No.	77-47-4
分子式	C5Cl6
平均分子量	272.8 g/mol
単同位体質量	269.81311608 g/mol
SMILES	ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl
InChIKey	VUNCWTMEJYMOOR-UHFFFAOYSA-N
PubChem CID	6478
ChEMBL	CHEMBL1526721
EC No.	201-029-3
DTXSID	DTXSID2020688

化学・物理的性質

XLogP	5
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	11
形式電荷	0
複雑度	234
物質分類	Hazardous Air Pollutants (HAPs)Toxic Gases & Vapors -> Other Toxic Gases & VaporsCorrosives
SpringerMaterials Properties	Schoenflies notation
農薬	Pesticide -> EPA IRISVolatile Organic Compound (VOC) and(or) Semi-Volatile Organic Compound (SVOC) (Pesticide)
LogP（分配係数）	log Kow= 5.044/5
臭い	Pungent, unpleasant odor.
密度	1.7019 at 77 °F (EPA, 1998) - Denser than waterwill sink1.7019 at 25 °C/4 °CRelative density (water = 1): 1.71.711.7019 @25 °C1.7019 g/cm3(Temp: 25 °C)
Color/Form	Dense, oily liquidPale-yellow to amber-colored liquid.
溶解度	less than 0.1 mg/mL at 70.7 °F (NTP, 1992)Soluble in all proportions in acetone, carbon tetrachloride, methanol and hexane.In water, 1.8 mg/L at 25 °CSolubility in water, g/100ml at 25 °C: 0.2(77 °F): 0.0002% (Reacts)
Corrosivity	In presence of moisture, will corrode iron & other metals.
引火点	Non-flammable (EPA, 1998)
Endocrine Disruptors	Potential endocrine disrupting compound
沸点	462 °F at 753 mmHg (EPA, 1998)239 °C239 °C @760 [mm Hg]
融点	-9 °C

安全性と法規制

GHS 分類	DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P262, P264, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazards Identification	Toxic/poison by inhalation (TIH/PIH)
規制情報	Chemical: 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro-Hazard Traits - HematotoxicityHepatotoxicity and Digestive System ToxicityNephrotoxicity and Other Toxicity to the Urinary SystemRespiratory Toxicity1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclopentadiene, 1,2,3,4,5,5-hexachloro- 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: 09-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20469Hexachlorocyclopentadiene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.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）	Poison Inhalation Hazard
火災危険	Toxic hydrogen chloride, chlorine, and phosgene gases may form in fires. In presence of moisture, will corrode iron and other materialsflammable and explosive hydrogen gas may collect in enclosed space. Will corrode iron and other metals in the presence of moisture. Reacts slowly with water to form hydrochloric acidhowever, the reaction is not hazardous. Hazardous polymerization may not occur. (EPA, 1998)