氯碘羟喹

外观与性状：

奶油色的至褐色-黄色粉末几乎无气味的

密度：

2.047g/cm3

熔点：

175-183 °C

沸点：

350.4ºC at 760mmHg

水溶解性：

<0.1 g/100 mL at 20℃

折射率：

1.753

存储条件/存储方法：

库房低温,通风,干燥,与食品原料分开存放

包装等级：

III

风险类别：

6.1(b)

海关代码：

2933499090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R25

安全说明：

S36/37/39-S45

RTECS号：

VC5075000

安全标志：

S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:

危险标志：

T:Toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

VC5075000

CHEMICAL NAME :

8-Quinolinol, 5-chloro-7-iodo-

CAS REGISTRY NUMBER :

130-26-7

BEILSTEIN REFERENCE NO. :

0153637

LAST UPDATED :

199710

DATA ITEMS CITED :

29

MOLECULAR FORMULA :

C9-H5-Cl-I-N-O

MOLECULAR WEIGHT :

305.50

WISWESSER LINE NOTATION :

T66 BNJ GG II JQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

11 gm/kg/36W

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - optic nerve neuropathy Sense Organs and Special Senses (Eye) - visual field changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

1400 mg/kg/20D-I

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3400 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

69 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

590 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5 gm/kg

TOXIC EFFECTS :

Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

>1 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

400 mg/kg

TOXIC EFFECTS :

Liver - other changes

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

250 mg/kg

TOXIC EFFECTS :

Liver - fatty liver degeneration Liver - other changes Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

175 mg/kg

TOXIC EFFECTS :

Liver - other changes

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

200 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - chicken

DOSE/DURATION :

5 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

15600 mg/kg/26W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in bladder weight Blood - pigmented or nucleated red blood cells Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

20 gm/kg/14W-I

TOXIC EFFECTS :

Spinal Cord - demyelination Spinal Cord - other degenerative changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

44 gm/kg/25W-I

TOXIC EFFECTS :

Liver - changes in liver weight Musculoskeletal - other changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

36600 mg/kg/17W-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

7 gm/kg/7D-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - dyspnea Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

9000 mg/kg

SEX/DURATION :

female 30 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

1320 mg/kg

SEX/DURATION :

female 7-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - physical

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

528 mg/kg

SEX/DURATION :

female 7-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

MUTATION DATA

TYPE OF TEST :

DNA inhibition

TEST SYSTEM :

Rodent - rat Cells - not otherwise specified

DOSE/DURATION :

10 umol/L

REFERENCE :

JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 12,97,1987 *** REVIEWS *** TOXICOLOGY REVIEW PRTODI "Progress in Toxicology," Zbinden, G., New York, Springer-Verlag, 1973 Volume(issue)/page/year: 1,68,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4788 No. of Facilities: 152 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 13895 (estimated) No. of Female Employees: 11269 (estimated)

中国海关编码：2933499090

概述：

2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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：

2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构数据

五、分子性质数据：

1、   摩尔折射率：64.22

2、   摩尔体积（m³/mol）：153.0

3、   等张比容（90.2K）：442.5

4、   表面张力（dyne/cm）：69.8

5、   极化率（10^-24cm³）：25.46

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积33.1

7.重原子数量:13

8.表面电荷:0

9.复杂度:193

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

• 
  5-氯-8-羟基-7-碘代喹啉红外图谱(IR1)
• 
  5-氯-8-羟基-7-碘代喹啉红外图谱(IR2)
• 
  5-氯-8-羟基-7-碘代喹啉质谱(MS)
• 
  5-氯-8-羟基-7-碘代喹啉核磁图(¹³CNMR)
• 
  5-氯-8-羟基-7-碘代喹啉核磁图(¹HNMR)