16606-02-3

• 常用中文名：2,4',5-三氯联苯
• 常用英文名：2,4',5-Trichlorobiphenyl
• CAS号：16606-02-3
• 分子式：C₁₂H₇Cl₃
• 分子量：257.543
• 相关类别： 分析化学 食品安全 二噁英，多氯联苯，呋喃
• 发布时间：2018-03-02 08:00:00
• 更新时间：2026-07-08 00:07:13
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名称

• 中文名: 2,4,5-三氯联苯醚
• 英文名: 2,4',5-Trichlorobiphenyl
• 中文别名: 环己烷中2,4`,5-三氯联苯; 甲苯中2,4',5-三氯联苯; 2,4',5-三氯联苯醚 标准品; 2,4',5-三氯联苯醚; PCB 31(2,4',5-三氯联苯); 多氯联苯 31; PCB 31(2,4',5-三氯联苯) 标准品; PCB NO. 31,10NG/UL 标准品; 正己烷中2,4',5-三氯联苯; 2,4',5-三氯联苯(PCB 31); 2,4',5-三氯联苯 (100 UG/ML IN I非标 CERTIFIED STANDD; 2,4’,5-三氯联苯醚; 2,4',5-三氯联苯 (PCB-31)(13C12, ) /-2 UG/ML IN
• 英文别名: 2,4′,5-Trichlorobiphenyl; 2,4’,5-trichloro-1’-biphenyl; 2,4',5-Trichlorobiphenyl-d4; L20003100CY PCB No. 31 10μg/mLin Cyclohexane; 2,4',5-Trichlorobiphényl; PCB No. 31 10 μg/mL in Cyclohexane; PCB No. 31 10 μg/mL in Isooctane; 4,2',5'-Trichlorobiphenyl; 2.4'.5-Trichlorobiphenyl 25mg [16-3]; 2,4',5-TRICB; L20003100IO PCB No. 31 10μg/mLin Isooctane; 2,4',5-PCB; PCB NO 31; BZ NO 31; delor103; BALLSCHMITER NO 31; 4,2’,5’-trichlorobiphenyl; PCB-31; C20003100 PCB No. 31; 2,4’,5-trichloro-bipheny; 1,4-dichloro-2-(4-chlorophenyl)benzene; PCB No. 31 in Cyclohexane; MFCD00078742; PCB No. 31 1; 2,5,4'-Trichlorobiphenyl; PCB No. 31 100 μg/mL in Isooctane

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 331.5±27.0 °C at 760 mmHg
• 熔点: 67℃
• 分子式: C₁₂H₇Cl₃
• 分子量: 257.543
• 闪点: 227.3±19.3 °C
• 精确质量: 255.961334
• LogP: 5.52
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.604
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积:0

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:199

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DV8810000 CHEMICAL NAME : Biphenyl, 2,4',5-trichloro- CAS REGISTRY NUMBER : 16606-02-3 BEILSTEIN REFERENCE NO. : 1961529 LAST UPDATED : 199710 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C12-H7-Cl3 MOLECULAR WEIGHT : 257.54 WISWESSER LINE NOTATION : GR BG DR BG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 150 mg/kg/3D-I TOXIC EFFECTS : Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other esterases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 33,94,1975 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 21 mg/kg/84D-C TOXIC EFFECTS : Brain and Coverings - other degenerative changes Brain and Coverings - changes in brain weight Liver - changes in liver weight REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 41,629,1977 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 120 mg/kg SEX/DURATION : female 1-6 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) REFERENCE : APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 42,323,1978 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 78 mg/kg SEX/DURATION : female 5-21 day(s) after conception lactating female 22 day(s) post-birth TOXIC EFFECTS : Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) REFERENCE : APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 42,275,1978 *** REVIEWS *** TOXICOLOGY REVIEW EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 24,173,1978

安全

• 符号: GHS08, GHS09
• 信号词: Warning
• 危害声明: H373-H410
• 警示性声明: P273-P391-P501
• 危害码 (欧洲): N: Dangerous for the environment;
• 风险声明 (欧洲): R33
• 安全声明 (欧洲): S35
• 危险品运输编码: UN 3432 9/PG 2
• RTECS号: DV8810000
• 海关编码: 2903999090

合成路线

1435-50-3 1679-18-1 ~60% 16606-02-3

文献：Chemosphere, , vol. 56, # 8 p. 735 - 744

637-87-6 29682-41-5 ~% 16606-02-3

文献：Chemosphere, , vol. 31, # 2 p. 2687 - 2705

308817-89-2 ~% 16606-02-3

文献：Gazzetta Chimica Italiana, , vol. 65, p. 632,643

89306-00-3 ~% 16606-02-3

文献：Gazzetta Chimica Italiana, , vol. 65, p. 632,643

106-46-7 673-41-6 ~% 16606-02-3

文献：Bulletin de la Societe Chimique de France, , vol. , p. 191 - 195

106-46-7 94-17-7 ~% 16606-02-3

文献：Journal of Organic Chemistry, , vol. 31, p. 1436 - 1447

海关

海关编码	2903999090
中文概述	2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%