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펜타클로로나이트로벤젠 · 펜타클로로니트로벤젠 · KOBU · QUINTOZENE · PENTACHLORONITROBENZENE · PCNB · kp2 · QUINTOZEN

식별자 및 물리적 특성

CAS No.	82-68-8
분자식	C6Cl5NO2
평균 분자량	295.3 g/mol
단동위원소 질량	292.83716664 g/mol
SMILES	O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIKey	LKPLKUMXSAEKID-UHFFFAOYSA-N
PubChem CID	6720
ChEMBL	CHEMBL468759
ChEBI	CHEBI:34908
EC No.	201-435-0
DTXSID	DTXSID2021105
현지명	펜타클로로니트로벤젠

화학 및 물리적 성질

XLogP	4.2
극성 표면적	45.8
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	14
형식 전하	0
복잡도	219
물질 분류	Hazardous Air Pollutants (HAPs)
SpringerMaterials Properties	Fusion temperature
농약	Pesticide -> EPA IRISFungicidesActive substance -> EU Pesticides database: Not approvedPesticides -> FungicidesPesticide (Quintozene (PCNB)) -> USDA PDB
LogP(분배 계수)	log Kow = 4.224.774.64
냄새	Musty odor
밀도	1.718 at 77 °F (NTP, 1992) - Denser than waterwill sink1.718 at 25 °C/4 °C1.7 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.001.718 @25 °C
Color/Form	Pale yellow crystalsColorless needlesFine needles from alcohol, platelets from carbon disulfideCream crystals
용해도	less than 1 mg/mL at 72 °F (NTP, 1992)Practically insol in cold alcSlightly soluble in alcoholssomewhat soluble in carbon disulfide, benzene, chloroformSolubility in various solvents. [Table#3529]In water, 0.44 mg/L at 25 °CSolubility in water, g/100ml at 20 °C: 0.00004톨루엔: 용해성50mg/mL, 투명하고 희미하거나 약간 노란색
Corrosivity	NON-CORROSIVE
끓는 점	622 °F at 760 mmHg (with some decomposition) (NTP, 1992)328 °C at 760 mm Hg with some decomposition328°C
녹는점	295 °F (NTP, 1992)144 °CPale yellow crystals. 99% pure. MP: 142-145 °C /Technical grade/146 °C140-143 °C (lit.)
증기 밀도	10.2 (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 10.2
증기압	1.27 x l0-2Pa (25 °C)
인화점	11 °C
저장 조건	APPROX 4°C
물리적 상태	가루
색상	노란색에서 황갈색까지
용해도	불용성
Merck	8080
BRN	1914324
헨리 상수	2.7×100 mol/(m3Pa) at 25℃, Kawamoto and Urano (1989)
안정성	안정적인. 강염기, 강산화제와 호환되지 않습니다.
주요 응용	농업환경
InChI	1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
InChIKey	LKPLKUMXSAEKID-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
NIST	Benzene, pentachloronitro-(82-68-8)
EPA	Pentachloronitrobenzene (82-68-8)

화학적 성질

Light green powder

안전 및 규제

유해성 요약
GHS 분류	WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
규제 정보	Hazard Traits - BioaccumulationEnvironmental PersistenceHepatotoxicity and Digestive System ToxicityTP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.PCNB, Pentachloronitrobenzene (Quintozene) is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)00/816/ECQuintozene: 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.)
기타 안전 정보	IMAP assessments - Benzene, pentachloronitro-: Environment tier I assessment
운송 라벨(DOT)	Class 9
화재 위험	Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성	SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin and eyes. Skin contact may result in erythema, itching, edema and formation of small vesicles. Skin sensitization may also occur. Eye contact may result in conjunctivitis and corneal injury. Kidney and liver damage may occur. Vomiting may also occur. Exposure to this type of compound can cause central nervous system stimulation, vomiting, diarrhea, paresthesia, excitement, giddiness, fatigue, tremors, convulsions, coma, pulmonary edema, hypothermia and liver, kidney and myocardial toxicity. Respiration may be initially accelerated and then later depressed. Chronic exposure to this type of compound leads to headache, loss of appetite, muscular weakness, fine tremors and apprehensive mental state.

용도

개요

Pentachloronitrobenzene (PCNB) is a pesticide and fungicide. Sensitization can occur in farmers and in those working in chemical plants.

용도

Fungicide for seed and soil treatment.

일반 설명

Crystalline pale yellow to white solid or powder with a musty moth ball odor. Insoluble in water and denser than water. Hence sinks in water.

제조 및 합성 방법

생산 방법

Quintozine is produced by nitration of pentachlorobenzene.