钠 3-(3,4-二氯苯基)-1,1-二甲基-脲羟基-羰基-硼烷四水合物
- 中文名称:
- 钠 3-(3,4-二氯苯基)-1,1-二甲基-脲羟基-羰基-硼烷四水合物
- 中文别名:
- 钠 3-(3,4-二氯苯基)-1,1-二甲基-脲羟基-羰基-硼烷四水合物;
sodium,2-acetyloxybenzoate
- 英文名称:
- Benzoic acid,2-(acetyloxy)-, sodium salt (1:1)
- 英文别名:
- sodium,2-acetyloxybenzoate;
Acetylsalicylic acid sodium salt;
Sodium O-acetylsalicylate;
Sodium acetylsalicylic acid;
Sodium acetylsalicylate;
Aspirin sodium;
Salicylic acid,acetate,sodium salt;
ASA sodium salt;
EINECS 207-777-7;
sodium salt of acetylsalicylic acid;
O-Acetylsalicylic acid,sodium salt;
Sodium aspirin;
aspirin sodium salt;
2-acetoxybenzoic acid sodium salt
- CAS No.:
- 493-53-8
- 分 子 式:
-
C9H8O4.Na
- 分 子 量:
- 202.15
- 精确分子量:
- 202.02400
- PSA:
- 66.43000
- EINECS:
- 207-777-7
- InChI:
- The Key: JZLOKWGVGHYBKD-UHFFFAOYSA-M3
- 安全术语:
- Moderately toxic by intraperitoneal and subcutaneous routes. Human systemic effects by intravenous route: unspecified changes in the blood. When heated to decomposition it emits toxic fumes of Na2O. See also ACETOL.
- 分子结构式:
-
- SDS:
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钠 3-(3,4-二氯苯基)-1,1-二甲基-脲羟基-羰基-硼烷四水合物 物化性质
- 沸点:
- 321.4ºC at 760mmHg
- 闪点:
- 131.2ºC
- 蒸汽压:
- 0.000124mmHg at 25°C
- 存储条件/存储方法:
- 库房通风低温干燥,与氧化剂、酸类、食品化工添加剂分开存放
钠 3-(3,4-二氯苯基)-1,1-二甲基-脲羟基-羰基-硼烷四水合物 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VO0875000
- CHEMICAL NAME :
- Salicylic acid, acetate, sodium salt
- CAS REGISTRY NUMBER :
- 493-53-8
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C9-H7-O4.Na
- MOLECULAR WEIGHT :
- 202.15
- WISWESSER LINE NOTATION :
- OVR BOV1 &-NA-
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 306 ug/kg
- TOXIC EFFECTS :
- Blood - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1450 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 :
- 730 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 700 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 909 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Host-mediated assay
- TEST SYSTEM :
- Rodent - rat Cells - not otherwise specified
- DOSE/DURATION :
- 300 mg/kg
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House,
Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year:
24,219,1975
钠 3-(3,4-二氯苯基)-1,1-二甲基-脲羟基-羰基-硼烷四水合物 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:3
5.互变异构体数量:无
6.拓扑分子极性表面积:66.4
7.重原子数量:14
8.表面电荷:0
9.复杂度:217
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:2
钠 3-(3,4-二氯苯基)-1,1-二甲基-脲羟基-羰基-硼烷四水合物 上游产品
钠 3-(3,4-二氯苯基)-1,1-二甲基-脲羟基-羰基-硼烷四水合物 下游产品