2-甲基-5-乙烯基吡啶

2-甲基-5-乙烯基吡啶 基本信息
CAS号 140-76-1 分子式 C8H9N
分子量 119.16400 精确质量 　119.07300
PSA 　12.89000 LogP 　2.03300
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
140-76-1
3D弹球模型：
立即前往扯扯看
分子式：
C8H9N
分子量：
119.16400
中文名称：
2-甲基-5-乙烯基吡啶
英文名称：
2-Methyl-5-vinylpyridine
中文别名：
2-甲基-5-乙烯基吡啶;
4-fluoroBenzenemethanamine;
1-(4-fluorophenyl)methanamine;
(4-fluorophenyl)methanaminium;
2,4-difluoro-1-isothiocyanatobenzene;
Fluorobenzyl amine;
(4-Fluorophenyl)methanamine;
4-fluoro-benzenemethanamin;
P-Fluorobenzyl Amine;
4-fluorobenzylamine;
cetapharm;
cetasol;
cetazol;
cetylpyridiumbromide;
morpancbp;
n-cetylpyridiniumbromide;
Cetyl Pyridinium Bromide;
1-hexadecylpyridinium;
Bromohexadecyl pyridine;
N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine;
Perma kleer 140;
Plexene D;
Sodium diethylenetriaminepentaacetate;
Syntron C;
Tetralon B;
UNII-961TOZ5L7T;
Versenex 80;
Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-, sodium salt (1:5);
Pentasodium (carboxylatomethyl)iminobis(ethylenenitrilo)tetraacetate;
pentasodium 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate;
Trilon C;
Propazin (VAN);
Propazine (herbicide);
Prozinex;
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-;
1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-bis(1-methylethyl)-;
s-Triazine, 2-chloro-4,6-bis(isopropylamino)-;
6-chloro-N,N'-di(prop
英文别名：
2-Methyl-5-vinylpyridine;
5-Ethenyl-2-methypyridine;
Pyridine,2-methyl-5-vinyl;
2-Methyl-5-vinyl-pyridin;
5-vinyl-2-methylpyridine;
5-Vinyl-2-picoline;
methyl vinyl pyridine;
2-methyl-5-vinyl pyridine;
2,5-Methylvinylpyridine;
Pyridine,5-ethenyl-2-methyl;
6-methyl-3-vinylpyridine;
2-Picoline,5-vinyl;
2-Methyl-5-vinylpridine
精确分子量/精确质量：
119.07300
极性分子表面积/PSA：
12.89000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
205-432-5
InChI：
InChI=1/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3

物化性质展开↓

外观与性状：
透明至淡灰白的有香味的液体
密度：
0.954g/cm3
熔点：
180 °C (dec.)(lit.)
沸点：
290°C
闪点：
290°C
折射率：
1.555
蒸汽压：
1.535mmHg at 25°C

安全信息展开↓

包装等级：
III
风险类别：
6.1(b)
海关代码：
2933399090

合成路线查看所有的合成路线

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    2-甲基-5-乙烯基吡啶

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    2-甲基-5-乙烯基吡啶

  • 104-90-5

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    2-甲基-5-乙烯基吡啶

化学图谱

  1. 2-甲基-5-乙烯基吡啶核磁图(13CNMR)

  2. 2-甲基-5-乙烯基吡啶核磁图(1HNMR)

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毒理性展开↓

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

海关数据查看详细

中国海关编码：2933399090

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
摘要/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%

分子结构与计算化学数据展开↓

分子结构数据

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

计算化学数据

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

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