3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane,1-(3-chloro-2-propen-1-yl)-, chloride (1:1)
- 中文别名：1-(3-氯-2-丙烯基)-3,5,7-三氮杂-1-氮翁三环[3,3,1,13,7]癸烷氯化物
- 中文释义：1-(3-氯-2-丙烯基)-3,5,7-三氮杂-1-氮翁三环[3,3,1,13,7]癸烷氯化物;1-(3-氯代烯丙基)-3,5,7-三氮杂-1-氮翁氯化金刚烷;季铵盐-15
- 英文别名：3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1);
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride (7CI);
3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride (8CI);
3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-chloro-2-propenyl)-, chloride (9CI);
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, 3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane deriv.;
1-(3-Chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride;
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniadamantane chloride;
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniumadamantane chloride;
3-(3'-Chloroallyl)hexamethylenetetraammonium chloride;
Dowco 184;
Dowicide Q;
Dowicil 100;
Dowicil 75;
N-(3-Chloroallyl)hexaminium chloride;
Quaternium 15
- CAS No.：4080-31-3
- 分子式：
C9H16ClN4.Cl
- 分子量：215.70
- 精确分子量：250.07520
- PSA：9.72000
- InChI：InChI=1/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1
- 分子结构式：
物化性质
- 熔点：
- 178-210ºC
- 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
安全信息
- 熔点：
- 178-210ºC
- 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
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XX8450000
- CHEMICAL NAME :
- 3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride
- CAS REGISTRY NUMBER :
- 4080-31-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C9-H16-Cl-N4.Cl
- MOLECULAR WEIGHT :
- 251.19
- WISWESSER LINE NOTATION :
- T66 B6 A B- C 1B I BK DN FN HNTJ B2U1G &Q &G
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 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 - rabbit
- DOSE/DURATION :
- 78500 ug/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 :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 565 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 - guinea pig
- DOSE/DURATION :
- 710 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 :
- Bird - chicken
- DOSE/DURATION :
- 2 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 :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1500 mg/kg/3W-I
- TOXIC EFFECTS :
- Brain and Coverings - changes in brain weight Related to Chronic Data - changes in testicular weight
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1500 mg/kg/30D-I
- TOXIC EFFECTS :
- Liver - other changes
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 250 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 333 ug/plate
- REFERENCE :
- EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11(Suppl 12),1,1988 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2880 No. of Facilities: 513 (estimated) No. of Industries: 8 No. of Occupations: 9 No. of Employees: 5887 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2880 No. of Facilities: 8643 (estimated) No. of Industries: 67 No. of Occupations: 77 No. of Employees: 137018 (estimated) No. of Female Employees: 38857 (estimated)
分子结构与计算化学数据
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:4
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积:9.7
7.重原子数量:15
8.表面电荷:0
9.复杂度:224
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:2
