140-76-1

• 常用中文名：2-甲基-5-烯基吡啶
• 常用英文名：2-Methyl-5-vinylpyridine
• CAS号：140-76-1
• 分子式：C₈H₉N
• 分子量：119.164
• 发布时间：2018-05-09 08:00:00
• 更新时间：2024-01-05 18:09:39

名称

• 中文名: 2-甲基-5-乙烯基吡啶
• 英文名: 2-Methyl-5-vinylpyridine
• 英文别名: 5-20-06-00218 (Beilstein Handbook Reference); 2-methyl-5-vinyl pyridine; Pyridine, 5-ethenyl-2-methyl-; EINECS 205-432-5; Pyridine, 2-methyl-5-vinyl; 5-vinyl-2-methylpyridine; 2-Methyl-5-vinylpridine; 2,5-Methylvinylpyridine; Pyridine,2-methyl-5-vinyl; 5-Ethenyl-2-methypyridine; 2-Methyl-5-vinyl-pyridin; 5-Vinyl-2-picoline; 2-Picoline,5-vinyl; methyl vinyl pyridine; 5-ethenyl-2-methylpyridine; Pyridine,5-ethenyl-2-methyl; 6-methyl-3-vinylpyridine; 2-Methyl-5-vinylpyridine

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 175.5±9.0 °C at 760 mmHg
• 熔点: 180 °C (dec.)(lit.)
• 分子式: C₈H₉N
• 分子量: 119.164
• 闪点: 56.6±10.9 °C
• 精确质量: 119.073502
• PSA: 12.89000
• LogP: 1.92
• 外观性状: 透明至淡灰白的有香味的液体
• 蒸汽压: 1.5±0.3 mmHg at 25°C
• 折射率: 1.555
• 储存条件: 2-8°C， 惰性气体
• 分子结构:

  1、 摩尔折射率：40.09

  2、 摩尔体积（cm³/mol）：124.8

  3、 等张比容（90.2K）：304.0

  4、 表面张力（dyne/cm）：35.1

  5、 极化率（10-24cm3）：15.89

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2

  2.氢键供体数量:0

  3.氢键受体数量:1

  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12.9

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:98.7

  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 : UT2975000 CHEMICAL NAME : Pyridine, 5-ethenyl-2-methyl- CAS REGISTRY NUMBER : 140-76-1 BEILSTEIN REFERENCE NO. : 0106229 LAST UPDATED : 199712 DATA ITEMS CITED : 12 MOLECULAR FORMULA : C8-H9-N MOLECULAR WEIGHT : 119.18 WISWESSER LINE NOTATION : T6NJ B1 E1U1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0546451 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1300 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969 TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 189 mg/m3/2H 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: -,88,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1290 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: -,88,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 775 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: -,88,1982 TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 213 mg/m3/2H 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: -,88,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 532 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: -,88,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 800 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 30,470,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 1250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 39(4),86,1974 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 2 mg/m3;Skin JAN 1993

安全

• 危害码 (欧洲): T+
• 危险品运输编码: 2810
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2933399090

合成路线

3430-13-5 7486-35-3 ~46% 140-76-1

文献：MEDIVATION TECHNOLOGIES, INC.; HUNG, David, T.; PROTTER, Andrew, Asher; JAIN, Rajendra, Parasmal; CHAKRAVARTY, Sarvajit; GIORGETTI, Marco Patent: WO2010/51503 A1, 2010 ; Location in patent: Page/Page column 249 ; WO 2010/051503 A1

53014-84-9 1779-49-3 ~% 140-76-1

文献：WO2009/110985 A2, ; Page/Page column 63 ; WO 2009/110985 A2

104-90-5 ~% 140-76-1

文献：US2611769 , ;

3430-13-5 ~% 140-76-1

文献：WO2009/111540 A1, ;

上下游产品

上游产品  5
3430-13-5 7486-35-3 53014-84-9 1779-49-3
104-90-5
下游产品  10
3613-73-8 3222-47-7 53014-84-9 21241-10-1
6960-22-1 102207-58-9 100189-17-1 104-90-5
56019-64-8 100-26-5

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%