1,4-二亚硝基哌嗪
- 中文名称：
- 1,4-二亚硝基哌嗪
- 中文别名：
- 1,4-二亞硝哌;
1,4-二亞硝哌【口+井】
- 英文名称：
- Piperazine,1,4-dinitroso-
- 英文别名：
- 1,4-Dinitrosopiperazine;
1,4-dinitrosopiperazine
- CAS No.：
- 140-79-4
- 分 子 式：
-
C4H8N4O2
- 分 子 量：
- 144.13
- 精确分子量：
- 144.06500
- PSA：
- 65.34000
- EINECS：
- 205-434-6
- InChI：
- The Key: WNSYEWGYAFFSSQ-UHFFFAOYSA-N3
- 危险品标志：
-
- 风险术语：
-
- 安全术语：
-
- 分子结构式：
-
- SDS：
- 查看
1,4-二亚硝基哌嗪 物化性质
- 密度：
- 1.53g/cm3
- 熔点：
- 208-210°C
- 沸点：
- 406.1ºC at 760mmHg
- 闪点：
- 199.4ºC
- 折射率：
- 1.648
- 蒸汽压：
- 1.96E-06mmHg at 25°C
1,4-二亚硝基哌嗪 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TL6300000
- CHEMICAL NAME :
- Piperazine, 1,4-dinitroso-
- CAS REGISTRY NUMBER :
- 140-79-4
- BEILSTEIN REFERENCE NO. :
- 0135106
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 38
- MOLECULAR FORMULA :
- C4-H8-N4-O2
- MOLECULAR WEIGHT :
- 144.16
- WISWESSER LINE NOTATION :
- T6N DNTJ ANO DNO
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 :
- 160 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 :
- 160 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 :
- 100 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 :
- 1040 mg/kg/1Y-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Gastrointestinal - tumors
Liver - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1070 mg/kg/53W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - tumors
Liver - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 140 mg/kg
female 15-21 day(s) after conception
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Reproductive - Tumorigenic effects - transplacental tumorigenesis
Blood - leukemia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1568 mg/kg/28W-C
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 720 mg/kg/72W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Liver - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1800 mg/kg/64W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1100 mg/kg/110W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2250 mg/kg/50W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Sense Organs and Special Senses (Olfaction) - tumors
Liver - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7300 mg/kg/52W-C
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria
Lungs, Thorax, or Respiration - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 560 mg/kg/10W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Sense Organs and Special Senses (Olfaction) - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Skin and Appendages - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1086 mg/kg/69W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Brain and Coverings - tumors
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 5280 mg/kg/44W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Lungs, Thorax, or Respiration - tumors
Liver - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1120 mg/kg/20W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Sense Organs and Special Senses (Olfaction) - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1680 mg/kg/30W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Sense Organs and Special Senses (Olfaction) - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 140 mg/kg
- SEX/DURATION :
- female 15-21 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - live birth index (measured after birth)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 400 mg/kg
- SEX/DURATION :
- lactating female 20 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
alive at weaning per # alive at day 4)
- TYPE OF TEST :
- Specific locus test
- TYPE OF TEST :
- DNA damage
- TYPE OF TEST :
- Unscheduled DNA synthesis
- TYPE OF TEST :
- DNA inhibition
- TYPE OF TEST :
- DNA inhibition
- TYPE OF TEST :
- Cytogenetic analysis
MUTATION DATA
- TYPE OF TEST :
- Host-mediated assay
- TEST SYSTEM :
- Rodent - mouse Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 mg/kg
- REFERENCE :
- CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year:
37,4572,1977
1,4-二亚硝基哌嗪 海关数据
中国海关编码：2933599090
- 概述：
- 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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：
- 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1,4-二亚硝基哌嗪 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:6
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积65.3
7.重原子数量:10
8.表面电荷:0
9.复杂度:115
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
