2,2,4-三甲基-1,2-二氢喹啉

外观与性状：

棕色粉末或片

密度：

0.951 g/cm3

熔点：

72 - 94ºC

沸点：

>315ºC (Decomposes)

闪点：

115ºC

折射率：

1.58241 (18.2ºC)

蒸汽压：

0.00715mmHg at 25°C

海关代码：

29322980

WGK_Germany：

3
德国有关水污染物质的分类清单

安全说明：

S26-S36

CHEMICAL IDENTIFICATION

RTECS NUMBER :

VB4900000

CHEMICAL NAME :

Quinoline, 1,2-dihydro-2,2,4-trimethyl-

CAS REGISTRY NUMBER :

147-47-7

LAST UPDATED :

199710

DATA ITEMS CITED :

14

MOLECULAR FORMULA :

C12-H15-N

MOLECULAR WEIGHT :

173.28

WISWESSER LINE NOTATION :

T66 BM CHJ C1 C1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2 gm/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

REFERENCE :

HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(1-3),183,1966

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1450 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity)

REFERENCE :

HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 31(1-3),183,1966

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

IPSTB3 International Polymer Science and Technology. (Rapra Technology Ltd., Shawbury, Shrewsbury, Shropshire SY4 4NR, UK) Volume(issue)/page/year: 3,93,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

12 gm/kg/30D-I

TOXIC EFFECTS :

Liver - liver function tests impaired Related to Chronic Data - death

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 31(2),25,1966

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

12500 ug/m3/4H/21W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - other changes in urine composition Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 9(8),32,1965

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

18200 mg/kg/13W-I

TOXIC EFFECTS :

Liver - changes in liver weight Endocrine - changes in thymus weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-456,1997 ** TUMORIGENIC DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

26 gm/kg/2Y-I

TOXIC EFFECTS :

Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

REFERENCE :

NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-456,1997 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2990 No. of Facilities: 237 (estimated) No. of Industries: 9 No. of Occupations: 9 No. of Employees: 2135 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2990 No. of Facilities: 190 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 8109 (estimated) No. of Female Employees: 1529 (estimated)

分子结构数据

1、  摩尔折射率：55.40

2、  摩尔体积（cm³/mol）：181.9

3、  等张比容（90.2K）：421.1

4、  表面张力（dyne/cm）：28.6

5、  极化率（10-24cm3）：21.96

计算化学数据

1.疏水参数计算参考值（XlogP）:2.8

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积12

7.重原子数量:13

8.表面电荷:0

9.复杂度:227

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

丙酮 异亚丙基丙酮 丙炔 1-萘胺 N-phenylpropan-2-imine 丙酮 异亚丙基丙酮 丙炔 1-萘胺 N-phenylpropan-2-imine

2,2,4-三甲基-1,2,3,4-四氢喹啉 2,4-二甲基喹啉 2,2,4-三甲基-1,2,3,4-四氢喹啉 2,4-二甲基喹啉

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  2
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  2
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  4-三甲基-1
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  2-二氢喹啉红外图谱(IR1)