洛丙二醇

  • 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
  • 下游产品

洛丙二醇 基本信息

中文名称:
洛丙二醇 
中文别名:
洛丙二醇 
英文名称:
1,3-Propanediol,2,2-bis(chloromethyl)-
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
EINECS:
218-635-9
InChI:
The Key: YFESJHPTNWYOCO-UHFFFAOYSA-N
安全术语:
Moderately toxic by ingestion, intraperitoneal, and possibly other routes. When heated to decomposition it emits toxic fumes of Cl−.
分子结构式:
SDS:
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洛丙二醇 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

洛丙二醇 安全信息

海关代码:
2905590090

洛丙二醇 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

洛丙二醇 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%

洛丙二醇 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

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产品介绍:
产品名称:洛丙二醇 Cas号:2209-86-1 纯度:99% 包装信息:100kg 价格:洽谈
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