二辛基锡

二辛基锡 基本信息
CAS号 3542-36-7 分子式 C16H34Cl2Sn
分子量 416.04800 精确质量 　416.10600
PSA 　0.00000 LogP 　7.62720
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
3542-36-7
3D弹球模型：
立即前往扯扯看
分子式：
C16H34Cl2Sn
分子量：
416.04800
中文名称：
二辛基锡
英文名称：
DI-N-OCTYLTIN DICHLORIDE
中文别名：
二辛基锡;
二辛基二氯化锡
英文别名：
DI-N-OCTYLTIN DICHLORIDE;
Di-n-octyltin-dichloride;
dichlorodi-n-octyltin;
dichlorodioctylstannane;
Di-n-octyldichlorotin;
dioctyldichlorostannane;
dichlorodioctyltin(IV);
dioctyltin(IV) dichloride;
(C8H17)2tin(IV) dichloride;
dotc;
dioctyl-tidichloride;
Diocyldichlorotin;
DI-N-OCTYLDICHLOROTIN;
Dioctylzinndichlorid;
DIOCTYLTINCHLORIDE;
dioctyltindichloride;
DIOCTYLDICHLOROTIN
精确分子量/精确质量：
416.10600
极性分子表面积/PSA：
0.00000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00018091
EINECS：
222-583-2
InChI：
InChI=1/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2/rC16H34Cl2Sn/c1-3-5-7-

物化性质展开↓

密度：
1,175 g/cm3
熔点：
46-48°C
沸点：
175°C 1mm
闪点：
204°C
存储条件/存储方法：

常温，避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

其它信息：

1.       性状：白色晶体

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：46-48

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：175

7.       折射率：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：反应

安全信息展开↓

包装等级：
II
风险类别：
6.1
海关代码：
2931900090
危险类别码：
R36/37/38;R48/20/22
安全说明：
S26-S35-S36/37/39
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S35:本物质残余以及它的容器必须用安全方式处置。
:

合成路线查看所有的合成路线

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    ~99%

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    一辛基锡

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    二辛基锡

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    锡

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    ~96%

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  • 111-85-3

    正辛基氯

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  • 7646-78-8

    无水四氯化锡

  • →

    ~3%

  • 3590-84-9

    四正辛基锡

  • +

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    二辛基锡

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WH7247000
CHEMICAL NAME :
Stannane, dichlorodioctyl-
CAS REGISTRY NUMBER :
3542-36-7
LAST UPDATED :
199712
DATA ITEMS CITED :
38
MOLECULAR FORMULA :
C16-H34-Cl2-Sn
MOLECULAR WEIGHT :
416.09
WISWESSER LINE NOTATION :
G-SN-G8&8

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 :
5500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 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 :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7 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 :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
250 mg/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 :
42 mg/kg/2W-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in spleen weight Endocrine - changes in thymus weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
252 mg/kg/4W-C
TOXIC EFFECTS :
Endocrine - changes in thymus weight Blood - changes in other cell count (unspecified)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
378 mg/kg/6W-C
TOXIC EFFECTS :
Immunological Including Allergic - decrease in cellular immune response
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
945 mg/kg/12W-C
TOXIC EFFECTS :
Endocrine - changes in thymus weight Blood - changes in other cell count (unspecified)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4 gm/kg/8W-I
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in thymus weight Immunological Including Allergic - decrease in humoral immune response
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
168 mg/kg/4W-C
TOXIC EFFECTS :
Endocrine - other changes Endocrine - changes in adrenal weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - rabbit Cells - not otherwise specified
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 16,229,1985 *** REVIEWS *** ACGIH TLV-TWA 0.1 mg(Sn)/m3;STEL 0.2 mg/m3 (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.1 mg(Sn)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,258,1971 OSHA PEL (Gen Indu):8H TWA 0.1 mg(Sn)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.1 mg(Sn)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.1 mg(Sn)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 0.1 mg(Sn)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-BELGIUM:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-DENMARK:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-FINLAND:TWA 0.1 mg(Sn)/m3;STEL 0.3 mg(Sn)/m3;Skin JAN 1993 OEL-FRANCE:TWA 0.1 mg(Sn)/m3;STEL 0.2 mg(Sn)/m3 JAN 1993 OEL-GERMANY:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-HUNGARY:STEL 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-THE NETHERLANDS:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-THE PHILIPPINES:TWA 0.1 mg(Sn)/m3 JAN 1993 OEL-SWEDEN:TWA 0.1 mg(Sn)/m3;STEL 0.2 mg(Sn)/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg(Sn)/m3;STEL 0.2 mg(Sn)/m3;Skin JAN 1993 OEL-THAILAND:TWA 0.1 mg(Sn)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.1 mg(Sn)/m3;STEL 0.2 mg(Sn)/m3;Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ORGANOTIN COMPOUND-air:10H TWA 0.1 mg(Sn)/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992
生态数据：

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

海关数据查看详细

中国海关编码：2931900090

概述：
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
摘要/Summary：
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

 

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:0

3.氢键受体数量:0

4.可旋转化学键数量:14

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:19

8.表面电荷:0

9.复杂度:166

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

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