CAS 82-68-8 MFCD00007065-Pentachloronitrobenzene 五氯硝基苯 TAO{mole}

Pentachloronitrobenzene 五氯硝基苯

CAS 82-68-8 MFCD00007065

化学结构图

SMILES: O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

化学属性

Mol. Formula	C6Cl5NO2
Mol. Weight	295.33
Melting Point	140-143 °C(lit.)
Boiling Point	328°C
Density	1.718 g/cm3 at 25 °C
Solubility	不溶
Flash Point	11 °C
Appearance	powder

别名和识别编码

Chemical Name	Pentachloronitrobenzene
Synonym	Marisan forte Q Fungiclor Folosan PCNB KOBUTOL FOLOSAN(R) RTU 1010 KP 2 NCI-C004 TRITISAN(R) Quinosan Avicol (pesticide) 掘地坐 Quintocene Pentachoronitrobenzene Batrilex Tri-pcnb {Ch GC 3944-3-4 { Terrazan F Tritisan Sa Fomac 2 Terrachlor PKhNb Fartox 硝基五氯苯 PCNB 五氯硝基苯土粒散 Terrafun PCNB(R) RCRA waste number U185 {C pentachloronitrobenzene {Chemical Phomasan Terraclor Terraclor 30 G Quintozene {Chemicalb 五氯硝基苯原粉 Quintozen 'LGC' (1125) PCNB 土粒散 Brassico 五氯硝基苯 Brassicol super Brassicol PENT Pentachloronitrobenzene 硝基五氯苯,土粒散 Liro-PCNB avicol(pesticide) QUINTOZEN 土粒散 quintozin Earthcide 硝基五氯苯,土粒散;PCNB Tilcarex Chinozan 五氯硝基苯粉剂 Nitropentachlorobenzene Botrilex TERRACLOR Pentachloronitrobenzol 五氯硝苯 Terrazan FOLOSAN 2,3,4,5,6-Pentachloronitrobenzene Avicol 1,2,3,4,5 PKHNB Pentachlornitrobenzol Pentagen Pentachl Terraclor 30G {hazard_c
CAS Number	82-68-8
PubChem Substance ID	6720
EC Number	201-435-0
Beilstein Registry Number	1914324
MDL Number	MFCD00007065
Chemical Name Translation	五氯硝基苯
Merck Number	8080
Wiswesser Line Notation	WNR BG CG DG EG FG
LabNetwork Molecule ID	LN01291074
InChI	InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9

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产品应用

应用于抗生素的选择应用，溶解度，溶液稳定性等研究

安全信息

GHS Symbol

WGK Germany2

Hazard Codes Xi,N Xi;N Xi,N,T,F,Xn

Hazard statements

H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H317 May cause an allergic skin reaction 可能导致皮肤过敏

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

RTECSDA6650000

Precautionary statements

P501 Dispose of contents/container to..… 处理内容物/容器.....
P273 Avoid release to the environment. 避免释放到环境中。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。

Signal word Warning

Safety Statements

S13 Keep away from food, drink and animal foodstuffs 远离食品、饮料和动物饲料保存；
S37 Wear suitable gloves 戴适当手套；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S24 Avoid contact with skin 避免皮肤接触；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

Risk Statements

R50/53
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
R11 Highly flammable 非常易燃
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用

UN Number UN 3077 9/PG 3 2588/3077

Storage condition APPROX 4°C 室温、干燥、密封保存。

Warnings 危化品目录(2015) 危险化学品

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 135 gm/kg/77W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Liver - tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   42,1101,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,96,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   7,299,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   51,329,1982

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1400 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,96,1982

TYPE OF TEST            :

TYPE OF TEST

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/disc
REFERENCE :
   JPFCD2 Journal of Environmental Science and Health, Part B: Pesticides, Food
   Contaminants, and Agricultural Wastes.  (Marcel Dekker, 270 Madison Ave.,
   New York, NY 10016)  V.B11-    1976-  Volume(issue)/page/year: 21,319,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 5 umol/L
REFERENCE :
   PHYTAJ Phytopathology.  (American Phytopathological Soc., 3340 Pilot Knob
   Rd., St. Paul, MN 55121) V.1-    1911-  Volume(issue)/page/year: 66,217,1976

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 17 umol/L
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of D

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 40 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 147,288,1985

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 20 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 89,95,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 mg/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 11,247,1971

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 1935 mg/kg
SEX/DURATION            : female 6-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   NTIS** National Technica

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 5 gm/kg
SEX/DURATION            : female 7-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   35,239,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 1935 mg/kg
SEX/DURATION            : female 6-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB223-160

TYPE OF TEST

其他信息

可燃性危险特性:燃烧产生有毒氮氧化物气体
用途四:优良的土壤杀菌剂，用作拌种剂和土壤处理剂，用于防治棉花立枯病、猝倒病，小麦、高梁腥黑穗病，马铃薯疮痂病，甘兰根肿病，莴苣灰霉病等。喷洒可防治水稻纹枯病。校准仪器和装置；评价方法；工作标准；质量保证/质量控制；其他。
用途三:优良的土壤杀菌剂，用作拌种剂和土壤处理剂，用于防治棉花立枯病、猝倒病，小麦、高梁腥黑穗病，马铃薯疮痂病，甘兰根肿病，莴苣灰霉病等。喷洒可防治水稻纹枯病。
中毒症状:无全身中毒报道，皮肤、眼结膜和呼吸道受刺激引起结膜炎和角膜炎，炎症消退较慢。
灭火剂:干粉、泡沫、砂土
MSDS 信息:五氯硝基苯(82-68-8).msds
用途一:用作拌种剂和土壤处理剂，用于防治棉花立枯病、炭疽病、小麦腥黑穗病、散黑穗病、蔬菜猝倒病、大蒜白腐病等
急救治疗:对症治疗，误食立即催吐、洗胃。
毒性分级:中毒
注意事项:[1]大量药剂与作物幼芽接触时易产生药害。[2]拌过药的种子不能用作饲料或食用
Sigma Aldrich:82-68-8(sigmaaldrich)
储运特性:库房通风低温干燥; 与食品原料分开储运
类别:农药
color:yellow to tan
方法二:以碘为催化剂、氯磺酸为溶剂，将2,4,5-三氯硝基苯与氯气在80-85℃反应。溶剂氯磺酸的用量为三氯硝基苯重量的1-3倍，碘用量为三氯硝基苯重量的0.2-0.3%，通氯至过量1%。然后冷至30℃，滤出五氯硝基苯，用80-90℃热水洗至中性，70℃下干燥，可得含量98-99%的产品，收率94%。而2,4,5-三氯硝基苯是由1,2,4三氯苯硝化得到的。上述方法耗用碘和氯磺酸，设备易腐蚀，另一种生产方法是采用由六六六无毒体得到的三氯苯埋接硝化、氯化，可得到氯硝基苯含量大于70%的原粉。原料消耗定额：三氯苯（98%）880kg/t、液氯930kg/t、硫酸（折100%）1020kg/t、硝酸（98%）350kg/t、氯磺酸（90%以上）1100kg/t。
急性毒性:口服- 大鼠 LD50: 1100 毫克/ 公斤; 口服- 小鼠 LD50: 1400 毫克/ 公斤
职业标准:TLV-TWA 0.5 毫克/ 立方米
几乎不溶于水、冷乙醇，易溶于二硫化碳、苯、氯仿。化学性质稳定，不易挥发，不易水解和氧化，不受日光、温度和酸碱度影响，土壤中残效较长。
上游原料:硝基苯 --> 原粉 --> 2,4,5-三氯硝基苯
图谱信息:五氯硝基苯(82-68-8)红外图谱(IR2) 五氯硝基苯(82-68-8)红外图谱(IR3) 五氯硝基苯(82-68-8)核磁图( 13 CNMR) 五氯硝基苯(82-68-8)质谱(MS) 五氯硝基苯(82-68-8)Raman光谱五氯硝基苯(82-68-8)红外图谱(IR1)
用途二:保护性杀菌剂，低毒，无内吸作用。用于种子清毒和土壤处理，其杀菌机制是影响菌丝细胞的有丝分裂。防治小麦腥黑穗病、散黑穗病，用40%粉剂500g拌种100kg；防治棉花苗期病害用40%粉剂1000g拌种100kg；防治油菜菌核病，每百平方米用40%粉剂65.6g拌细土1.5～3kg，在发病初期撒于根部附近；防治马铃薯疮痂病，每百平方米用50%可湿性粉剂375～675g，条施于播种沟内。
方法一:1，2，4-三氯苯经硝化，得三氯硝基苯。再以氯磺酸为溶剂，碘为催化剂，于80～85℃通氯，氯化后制得五氯硝基苯。
外观性质:无色或微黄色结晶，有发霉的气味。
毒性:大鼠急性经口 LD 50 >12000mg/kg，原药对大鼠急性经口 LD 50 1700mg/kg，家兔急性经皮 LD 50 >4000mg/kg。动物试验未见致癌、致畸、致突变现象。鲤鱼 LC 50 为10～40mg/L (48h)。
MOL 文件:82-68-8.mol