1122-70-9

• 常用中文名：2-甲基-6-乙烯基吡啶
• 常用英文名：2-Methyl-6-vinylpyridine
• CAS号：1122-70-9
• 分子式：C₈H₉N
• 分子量：119.164
• 发布时间：2018-07-09 15:32:21
• 更新时间：2024-01-02 16:44:39

名称

• 中文名: 2-甲基-6-乙烯基吡啶
• 英文名: 2-ethenyl-6-methylpyridine
• 英文别名: Pyridine, 2-ethenyl-6-methyl-; EINECS 214-357-7; 2-Methyl-6-vinyl-pyridin; 6-methyl-2-vinyl pyridine; 2-Methyl-6-vinylpyridine; MFCD00129055; Pyridine,2-ethenyl-6-methyl

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 171.2±9.0 °C at 760 mmHg
• 熔点: 248-250 °C(lit.)
• 分子式: C₈H₉N
• 分子量: 119.164
• 闪点: 53.7±10.9 °C
• 精确质量: 119.073502
• PSA: 12.89000
• LogP: 1.80
• 蒸汽压: 1.9±0.3 mmHg at 25°C
• 折射率: 1.555
• 储存条件: -20°C，保存于惰性气体中
• 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）:2.1

  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 : UT2974000 CHEMICAL NAME : Pyridine, 2-ethenyl-6-methyl- CAS REGISTRY NUMBER : 1122-70-9 BEILSTEIN REFERENCE NO. : 0106218 LAST UPDATED : 199612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C8-H9-N MOLECULAR WEIGHT : 119.18 WISWESSER LINE NOTATION : T6NJ B1 F1U1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 510 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 : 150 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 : Oral SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 510 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 0.5 mg/m3;Skin JAN 1993

安全

• 风险声明 (欧洲): 10-20/21/22-34-36
• 安全声明 (欧洲): S24/25-S26-S36/37/39
• 危险品运输编码: 2924
• 海关编码: 2933399090

合成路线

108-48-5 50-00-0 ~75% 1122-70-9 1124-74-9

文献：US2004/192925 A1, ; Page 2 ;

109-06-8 4301-14-8 ~38% 1122-70-9

文献：Chen, Chixu; Wang, Bowei; Munoz, Benito Synlett, 2003 , # 15 p. 2404 - 2406

934-78-1 ~% 1122-70-9

文献：Chemicke Zvesti, , vol. 11, p. 394 Chem.Abstr., , p. 406 Journal of the Chemical Society, , p. 217 Roczniki Chemii, , vol. 38, p. 1337,1343

1122-72-1 2065-66-9 ~% 1122-70-9

文献：Chemistry - An Asian Journal, , vol. 6, # 2 p. 669 - 673

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%