2209-86-1

• 常用中文名：洛丙二醇
• 常用英文名：2,2-bis(chloromethyl)propane-1,3-diol
• CAS号：2209-86-1
• 分子式：C₅H₁₀Cl₂O₂
• 分子量：173.03800
• 发布时间：2018-03-22 08:00:00
• 更新时间：2024-01-06 18:57:35

名称

• 中文名: 洛丙二醇
• 英文名: 2,2-bis(chloromethyl)propane-1,3-diol
• 英文别名: 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

物化性质

• 密度: 1.342g/cm3
• 沸点: 334.9ºC at 760mmHg
• 分子式: C₅H₁₀Cl₂O₂
• 分子量: 173.03800
• 闪点: 156.3ºC
• 精确质量: 172.00600
• PSA: 40.46000
• LogP: 0.43500
• 蒸汽压: 8.73E-06mmHg at 25°C
• 折射率: 1.5
• 储存条件: 库房通风低温干燥
• 计算化学:

  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

毒性和生态

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

安全

• 海关编码: 2905590090

合成路线

2210-05-1 ~86% 2209-86-1

文献：Bolotov, A. A.; V'yunov, K. A.; Rodin, A. A.; Ginak, A. I. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, # 6 p. 1078 - 1081 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 6 p. 1185 - 1189

115-77-5 ~% 2209-86-1

文献：Bougault Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1896 , vol. 123, p. 188

115-77-5 ~% 2209-86-1 813-99-0

文献：Mooradian; Cloke Journal of the American Chemical Society, 1945 , vol. 67, p. 943

2425-41-4 ~% 2209-86-1

文献：Wawzonek; Issidorides Journal of the American Chemical Society, 1953 , vol. 75, p. 2373

78-71-7 ~28% 2209-86-1

文献：Zarudii, F. S.; Lazareva, D. N.; Kurmaeva, E. S.; Chalova, O. B.; Kiladze, T. K.; et al. Pharmaceutical Chemistry Journal, 1985 , vol. 19, # 2 p. 108 - 111 Khimiko-Farmatsevticheskii Zhurnal, 1985 , vol. 19, # 2 p. 161 - 165

770-74-1 ~% 2209-86-1 1293392-02-5

文献：Simmons, Trevor R.; Pickett, Christopher J.; Wright, Joseph A. Acta Crystallographica Section C: Crystal Structure Communications, 2011 , vol. 67, # 1 p. o1-o5

115-77-5 ~% 2209-86-1 3228-99-7 813-99-0

文献：Ameduri, Bruno; Boutevin, Bernard; Karam, Lina Journal of Fluorine Chemistry, 1993 , vol. 65, # 1-2 p. 43 - 48

110-86-1 7719-09-7 115-77-5 ~% 2209-86-1 详细

文献：Mooradian; Cloke Journal of the American Chemical Society, 1945 , vol. 67, p. 943 Full Text Show Details Ballaus; Wagner Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1940 , vol. 45, p. 173 Full Text Show Details Govaert; Hansens; Beyaert Verslag van de Gewone Vergadering van de Afdeling Natuurkunde, Koninklijke Nederlandse Akademie van Wetenschappen, 1943 , vol. 52, p. 136 Chem.Abstr., 1944 , p. 5201

上下游产品

上游产品  7
2210-05-1 115-77-5 2425-41-4 78-71-7
770-74-1 110-86-1 7719-09-7
下游产品  5
2210-06-2 174-79-8 4351-76-2 4351-77-3
6103-09-9

海关

海关编码	2905590090
中文概述	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
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%