111-91-1

• 常用中文名：双(2-氯乙氧基)甲烷
• 常用英文名：bis(2-Chloroethoxy)methane
• CAS号：111-91-1
• 分子式：C₅H₁₀Cl₂O₂
• 分子量：173.03800
• 发布时间：2018-08-09 22:36:33
• 更新时间：2026-07-02 18:58:39
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名称

• 中文名: 双(2-氯乙氧基)甲烷
• 英文名: bis(2-Chloroethoxy)methane
• 中文别名: 双-(2-氯乙氧基)甲烷; 双(2-氯代乙氧基)甲烷; 双（2-氯乙氧基）甲烷; 双(2-氯乙氧基)甲烷 标准品; 环己烷中双-(2-氯乙氧基)甲烷; 甲醛缩二(2-氯乙醇); 二(2-氯乙氧基)甲烷; 二(Β-氯乙基)縮甲醛
• 英文别名: 1,1’-(methylenebis(oxy))bis(2-chloro-ethan; 1,1’-[methylenebis(oxy)]bis[2-chloro-Ethane; bis(2-chloroethoxy)-methan; bis(2-Chloroethoxy)methane@1000 μg/mL in MeOH; Bis-(2-chloroethoxy)methane 100 μg/mL in Cyclohexane; formaldehydebis(2-chloroethyl)acetal; 1-chloro-2-(2-chloroethoxymethoxy)ethane; dichlorodiethylformal; di-2-chloroethylformal; Di-2-chloroethyl formal; DICHLOROETHYL FORMAL; Bis(beta-chloroethyl) formal; beta,beta,-dichlorodiethylformal; ethane,1,-[methylenebis(oxy)]bis[2-chloro; 1,1’-(methylenebis(oxy))bis(2-chloroethane); 2,2-Dichloroethylformal; BIS(2-CHLOROETHOXY)METHANE; rcrawastenumberu024; bis(2-chloroethyl)formal; bis(2-Chloroethoxy)methane @100 μg/mL in Dichloromethane; formaldehydebis(beta-chloroethyl)acetal; Dichloromethoxy ethane: (bis(2-Chloroethoxy)methane); 2,2'-(Methylenebisoxy)bis(1-chloroethane); MFCD00045293; Ethane, 1,1'-[methylenebis(oxy)]bis[2-chloro; Bis(2-chloroethoxy)methane [-1]; 1-Chloro-2-[(2-chloroethoxy)methoxy]ethane; bis(2-chloroethoxy)methane,[liquid]; bis(betachloroethyl)formal; bis(chloro-2ethoxy)methane; Rcra waste number U024; bis(beta-chloroethyl)formal; 1,1’-[methylenebis(oxy)]bis[2-chloro-ethan; bis(2-Chloroethoxy)methane @5.0 mg/mL in MeOH; Formaldehyde bis(beta-chloroethyl) acetal; Formaldehyde bis(2-chloroethyl) acetal; Bis(2-chloroethyl) formal; dichlorodiethylmethylal; EINECS 203-920-2

物化性质

• 密度: 1.18g/cm3
• 沸点: 112°C/20mm
• 熔点: -32.3°C
• 分子式: C₅H₁₀Cl₂O₂
• 分子量: 173.03800
• 闪点: 76.9ºC
• 精确质量: 172.00600
• PSA: 18.46000
• LogP: 1.45470
• 外观性状: 无色液体
• 蒸汽压: 0.35mmHg at 25°C
• 折射率: 1.437
• 储存条件: 2-8 °C，惰性气体
• 分子结构:

  1、 摩尔折射率：38.40

  2、 摩尔体积（cm³/mol）：146.5

  3、 等张比容（90.2K）：347.2

  4、 表面张力（dyne/cm）：31.5

  5、 极化率（10-24cm3）：15.22

• 计算化学:

  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:2

  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18.5

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:46.2

  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

• 更多:

  1.沸点（°C，20mmHg）：112

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : PA3675000 CHEMICAL NAME : Methane, bis(2-chloroethoxy)- CAS REGISTRY NUMBER : 111-91-1 BEILSTEIN REFERENCE NO. : 1698909 LAST UPDATED : 199710 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C5-H10-Cl2-O2 MOLECULAR WEIGHT : 173.05 WISWESSER LINE NOTATION : G2O1O2G HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 65 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948 TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 62 ppm/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,343,1949 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 170 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 25
• 安全声明 (欧洲): 45
• 危险品运输编码: 2810
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2909199090

合成路线

110-88-3 107-07-3 ~0% 111-91-1 1462-33-5

文献：Journal of Heterocyclic Chemistry, , vol. 37, # 5 p. 1187 - 1191

50-00-0 107-07-3 ~% 111-91-1

文献：Journal of the Chemical Society, , p. 806,808

75-21-8 1462-33-5 ~% 111-91-1

文献：Justus Liebigs Annalen der Chemie, , vol. 710, p. 59 - 70

50-00-0 18719-58-9 107-07-3 ~% 111-91-1

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 92, p. 1027 - 1039

186318-82-1 107-07-3 ~% 111-91-1

文献：Bulletin de la Societe Chimique de France, , vol. <3>13, p. 592 Chemische Berichte, 28 Ref. <1895>,851

1462-33-5 107-07-3 ~% 111-91-1

文献：Bulletin de la Societe Chimique de France, , vol. <4>3, p. 256

海关

海关编码	2909199090
中文概述	2909199090. 其他无环醚及其卤化衍生物（包括磺化，硝化或亚硝化衍生物）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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
Summary	2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%