1,3-Propanediol,2,2-bis(chloromethyl)-
- 中文别名：洛丙二醇
- 中文释义：洛丙二醇
- 英文别名：2,2-bis(chloromethyl)propane-1,3-diol;
Clorpropandiol;
1,3-Propanediol,2,2-bis(chloromethyl);
Loprodiol;
Chlorpropandiol;
1,3-dichloro-2,2-di(hydroxymethyl)propane;
Dispranol;
2,2-di(chloromethyl)-1,3-propanediol;
Loprodiolum [INN-Latin];
2,2-bis-(chloromethyl)-propane-1,3-diol;
2,2-bis(chloromethyl)-1,3-propanediol;
EINECS 218-635-9
- CAS No.：2209-86-1
- 分子式：
C5H10Cl2O2
- 分子量：173.05
- 精确分子量：172.00600
- PSA：40.46000
- InChI：The Key: YFESJHPTNWYOCO-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.342g/cm3
- 沸点：
- 334.9ºC at 760mmHg
- 闪点：
- 156.3ºC
- 折射率：
- 1.5
- 蒸汽压：
- 8.73E-06mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
安全信息
- 密度：
- 1.342g/cm3
- 沸点：
- 334.9ºC at 760mmHg
- 闪点：
- 156.3ºC
- 折射率：
- 1.5
- 蒸汽压：
- 8.73E-06mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TY3200000
- CHEMICAL NAME :
- 1,3-Propanediol, 2,2-bis(chloromethyl)-
- CAS REGISTRY NUMBER :
- 2209-86-1
- BEILSTEIN REFERENCE NO. :
- 1698883
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C5-H10-Cl2-O2
- MOLECULAR WEIGHT :
- 173.05
- WISWESSER LINE NOTATION :
- Q1X1Q1G1G
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 :
- 1285 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 920 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Rectal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 812 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 48,67,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- >600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 99,67,1960
海关数据
中国海关编码：2905590090
- 概述：
- 2905590090 其他无环醇的卤化、磺化等衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途, 包装
- 摘要/Summary：
- 2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
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）:0.2
2.氢键供体数量:2
3.氢键受体数量:2
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积:40.5
7.重原子数量:9
8.表面电荷:0
9.复杂度:67.4
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
