海关代码：

2935009090

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R36/37/38

安全说明：

S22-S24/25

RTECS号：

DA9625000

危险标志：

Xi

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DA9625000

CHEMICAL NAME :

Benzenesulfonamide, 4-amino-N-(2-pyridinyl)-

CAS REGISTRY NUMBER :

144-83-2

LAST UPDATED :

199701

DATA ITEMS CITED :

19

MOLECULAR FORMULA :

C11-H11-N3-O2-S

MOLECULAR WEIGHT :

249.31

WISWESSER LINE NOTATION :

T6NJ BMSWR DZ

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 :

15800 mg/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

800 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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

16600 mg/kg

TOXIC EFFECTS :

Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1150 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Gastrointestinal - nausea or vomiting

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

20 gm/kg

TOXIC EFFECTS :

Kidney, Ureter, Bladder - other changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Primate - monkey

DOSE/DURATION :

8400 mg/kg/21D-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - hematuria Kidney, Ureter, Bladder - structural or functional changes in ureter Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

135 mg/kg/9W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

13482 mg/kg

SEX/DURATION :

male 6 week(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

10080 mg/kg

SEX/DURATION :

male 28 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

12600 mg/kg

SEX/DURATION :

male 35 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

4200 mg/kg

SEX/DURATION :

male 35 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

46200 mg/kg

SEX/DURATION :

male 60 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

TYPE OF TEST :

Micronucleus test

TYPE OF TEST :

Micronucleus test

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Rodent - hamster Ovary

DOSE/DURATION :

1667 mg/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 283,59,1992 *** REVIEWS *** TOXICOLOGY REVIEW JMSHAO Journal of the Mount Sinai Hospital (New York). (New York, NY) V.1-36, 1934-69. For publisher information, see MSJMAZ. Volume(issue)/page/year: 10,343,1943

毒理学数据：

二、毒理学数据：

1、急性毒性：大鼠经口LD50：15800 mg/kg；

大鼠静脉LD50：800 mg/kg；

小鼠经口LD50：16600 mg/kg；

小鼠腹腔LD50：1150 mg/kg；

兔子经口LD50：20 mg/kg.

2、   慢性毒性/致癌性：大鼠皮下TDLo：135 mg/kg/9W-I

生态数据：

三、生态学数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

中国海关编码：2935009090

概述：

2935009090 其他磺（酰）胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

分子结构数据

 

五、分子性质数据：

1、  摩尔折射率：65.34

2、  摩尔体积（m³/mol）：174.0

3、  等张比容（90.2K）：508.6

4、  表面张力（dyne/cm）：73.0

5、  极化率（10^-24cm³）：25.90

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:2

3.氢键受体数量:5

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积93.5

7.重原子数量:17

8.表面电荷:0

9.复杂度:331

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

• 
  磺胺吡啶核磁图(¹HNMR)
• 
  磺胺吡啶核磁图(¹³CNMR)
• 
  磺胺吡啶质谱(MS)
• 
  磺胺吡啶红外图谱(IR2)
• 
  磺胺吡啶红外图谱(IR1)