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- 2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺
2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
- 上游产品
2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺 基本信息
- 中文名称：
- 2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺
- 中文别名：
- 2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺;
1-bis(ethylsulfanyl)phosphoryloxyethane
- 英文名称：
- Phosphorodithioic acid,O,S,S-triethyl ester
- 英文别名：
- 1-bis(ethylsulfanyl)phosphoryloxyethane;
dithiophosphoric acid O,S,S'-triethyl ester;
Dithiophosphorsaeure-O,S,S'-triaethylester;
O,S,S'-Triaethyl-dithiophosphat;
O.O.S-Triaethyl-dithiophosphat;
Phosphorodithioic acid,O,S,S-triethyl ester;
O,S,S-Triaethylphosphorodithioat
- CAS No.：
- 2404-78-6
- 分 子 式：
- C6H15O2PS2
- 分 子 量：
- 214.30
- 精确分子量：
- 246.01500
- PSA：
- 127.17000
- InChI：
- The Key: MKNAVGOWTFZJBQ-UHFFFAOYSA-N
- 安全术语：
- Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of POx and SOx.
- 分子结构式：
-
- SDS：
- 查看
2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺 物化性质
- 密度：
- 1.151g/cm3
- 沸点：
- 276.5ºC at 760 mmHg
- 闪点：
- 121ºC
- 折射率：
- 1.497
- 蒸汽压：
- 0.00807mmHg at 25°C
2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺 安全信息
2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TE4700000
- CHEMICAL NAME :
- Phosphorodithioic acid, O,S,S-triethyl ester
- CAS REGISTRY NUMBER :
- 2404-78-6
- BEILSTEIN REFERENCE NO. :
- 1705784
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C6-H15-O2-P-S2
- MOLECULAR WEIGHT :
- 214.30
- WISWESSER LINE NOTATION :
- 2SPO&S2&O2
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 :
- 140 mg/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - other (direct) parasympathomimetic
Behavioral - muscle contraction or spasticity
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- DTESD7 52 Vanderbilt Ave., New York, NY 10017) V.1-15, 1977-87.
Discontinued 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977-
Volume(issue)/page/year: 8,631,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 95 mg/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - other (direct) parasympathomimetic
Behavioral - muscle contraction or spasticity
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- DTESD7 52 Vanderbilt Ave., New York, NY 10017) V.1-15, 1977-87.
Discontinued 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977-
Volume(issue)/page/year: 8,631,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 126 mg/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - other (direct) parasympathomimetic
Behavioral - muscle contraction or spasticity
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- DTESD7 52 Vanderbilt Ave., New York, NY 10017) V.1-15, 1977-87.
Discontinued 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977-
Volume(issue)/page/year: 8,631,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 83 mg/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - other (direct) parasympathomimetic
Behavioral - muscle contraction or spasticity
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- DTESD7 52 Vanderbilt Ave., New York, NY 10017) V.1-15, 1977-87.
Discontinued 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977-
Volume(issue)/page/year: 8,631,1980
2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺 海关数据
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%
2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺 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:6
5.互变异构体数量:无
6.拓扑分子极性表面积:76.9
7.重原子数量:11
8.表面电荷:0
9.复杂度:131
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
2-氮杂二环[3.2.0]庚-2,6-二烯-3-胺 上游产品
