海关代码：

2904909090

CHEMICAL IDENTIFICATION

RTECS NUMBER :

TX5250000

CHEMICAL NAME :

Propane, 1-chloro-2-nitro-

CAS REGISTRY NUMBER :

2425-66-3

BEILSTEIN REFERENCE NO. :

1748590

LAST UPDATED :

199706

DATA ITEMS CITED :

5

MOLECULAR FORMULA :

C3-H6-Cl-N-O2

MOLECULAR WEIGHT :

123.55

WISWESSER LINE NOTATION :

WNY1&1G

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 :

197 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PCOC** Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. (Topeka, KS) Volume(issue)/page/year: -,647,1966

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1070 mg/m3

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GUCHAZ Guide to the Chemicals Used in Crop Protection. (Information Canada, 171 Slater St., Ottawa, Ont., Canada) Volume(issue)/page/year: 6,111,1973

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

362 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 1,89,1968

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

105 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GUCHAZ Guide to the Chemicals Used in Crop Protection. (Information Canada, 171 Slater St., Ottawa, Ont., Canada) Volume(issue)/page/year: 6,111,1973

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

362 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

WRPCA2 World Review of Pest Control. (London, UK) V.1-10, 1962-71. Discontinued. Volume(issue)/page/year: 9,119,1970

毒理学数据：

口服-大鼠 LD50: 197 毫克/公斤; 口服-小鼠 LD50: 105 毫克/公斤

中国海关编码：2904909090

概述：

2904909090 其他烃的磺化、硝化、亚硝化衍生物（不论是否卤化）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构数据

1、         摩尔折射率：26.77

2、         摩尔体积（cm³/mol）：102.5

3、         等张比容（90.2K）：245.8

4、         表面张力（dyne/cm）：32.9

5、         极化率（10^-24cm³）：10.61

计算化学数据

1.疏水参数计算参考值（XlogP）:1

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积45.8

7.重原子数量:7

8.表面电荷:0

9.复杂度:69.8

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:1

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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  氯硝丙烷质谱(MS)