28289-54-5

28289-54-5结构式
28289-54-5结构式

化源商城直购

中文名 1-甲基-4-苯基-1,2,3,6-四氢吡啶
英文名 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
英文别名 MFCD00006120
EINECS 248-939-7
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
MPTP
Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-
1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
密度 1.0±0.1 g/cm3
沸点 258.6±0.0 °C at 760 mmHg
熔点 aprox. 36ºC
分子式 C12H15N
分子量 173.254
闪点 105.8±21.2 °C
精确质量 173.120453
PSA 3.24000
LogP 2.28
外观性状 白色固体
蒸汽压 0.0±0.5 mmHg at 25°C
折射率 1.553
储存条件

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性

遵照规定使用和储存则不会分解。

分子结构

1、 摩尔折射率:55.37

2、 摩尔体积(m3/mol):172.9

3、 等张比容(90.2K):424.7

4、 表面张力(dyne/cm):36.3

5、 介电常数:

6、 偶极距(10 -24cm 3):

7、 极化率:21.95

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: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3.2

7.重原子数量:13

8.表面电荷:0

9.复杂度:189

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

更多

1. 性状:无可用

2. 密度(g/mL,25/4℃):无可用

3. 相对蒸汽密度(g/mL,空气=1):无可用

4. 熔点(ºC):36

5. 沸点(ºC,常压):128-132/12mm Hg

6. 沸点(ºC,5.2kPa):无可用

7. 折射率:无可用

8. 闪点(ºC):无可用

9. 比旋光度(º):无可用

10. 自燃点或引燃温度(ºC):无可用

11. 蒸气压(kPa,25ºC):无可用

12. 饱和蒸气压(kPa,60ºC):无可用

13. 燃烧热(KJ/mol):无可用

14. 临界温度(ºC):无可用

15. 临界压力(KPa):无可用

16. 油水(辛醇/水)分配系数的对数值:无可用

17. 爆炸上限(%,V/V):无可用

18. 爆炸下限(%,V/V):无可用

19. 溶解性:无可用

生态学数据:

该物质对环境可能有危害,对水体应给予特别注意。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UT8358900
CHEMICAL NAME :
Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-
CAS REGISTRY NUMBER :
28289-54-5
BEILSTEIN REFERENCE NO. :
0133712
LAST UPDATED :
199612
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C12-H15-N
MOLECULAR WEIGHT :
173.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
86 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
55HAAX "MPTP: A Neurotoxin Producing a Parkinsonian Syndrome, Papers Presented at a Symposium, Bethesda, MD, 1985," Markey, S.P., et al., eds., Orlando, FL, Academic Press, Inc., 1986 Volume(issue)/page/year: -,571,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg/3D-I
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness Behavioral - ataxia
REFERENCE :
NETEEC Neurotoxicology and Teratology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.9- 1987- Volume(issue)/page/year: 12,405,1990
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
252 mg/kg/7D-I
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Biochemical - Neurotransmitters or modulators (putative) - dopamine in striatum
REFERENCE :
CHHTAT Zhonghua Yixue Zazhi. Chinese Medical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1915- Suspended 1967-72. Volume(issue)/page/year: 70,252,1990
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
2800 ug/kg/11D-I
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Biochemical - Neurotransmitters or modulators (putative) - dopamine at other sites
REFERENCE :
CHHTAT Zhonghua Yixue Zazhi. Chinese Medical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1915- Suspended 1967-72. Volume(issue)/page/year: 70,252,1990
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - domestic
DOSE/DURATION :
8500 ug/kg/17D-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Behavioral - tremor Behavioral - rigidity (including catalepsy)
REFERENCE :
JEPOEC Journal of Environmental Pathology, Toxicology and Oncology. (Chem-Orbital, POB 134, Park Forest, IL 60466) V.5(4)- 1984- Volume(issue)/page/year: 9,417,1989 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
34 mg/kg
SEX/DURATION :
female 9-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
REFERENCE :
ANPTAL Acta Neuropathologica. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1961- Volume(issue)/page/year: 79,279,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
25200 ug/kg
SEX/DURATION :
female 9-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Effects on Newborn - biochemical and metabolic
REFERENCE :
ANPTAL Acta Neuropathologica. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1961- Volume(issue)/page/year: 79,279,1989
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
50 mg/kg
SEX/DURATION :
female 1-20 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
EJPHAZ European Journal of Pharmacology. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1967- Volume(issue)/page/year: 217,211,1992
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
375 mg/kg
SEX/DURATION :
female 10 day(s) pre-mating female 20 week(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - biochemical and metabolic Reproductive - Effects on Newborn - behavioral
REFERENCE :
EXNEAC Experimental Neurology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 131,108,1995

危害码 (欧洲) T
风险声明 (欧洲) R25
安全声明 (欧洲) S45
危险品运输编码 UN 2811 6.1/PG 2
WGK德国 3
RTECS号 UT8358900
包装等级 III
危险类别 6.1(b)
海关编码 2933399090
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%