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| CAS No.: | 111-91-1 |
|---|---|
| Name: | Bis(2-chloroethoxy)methane |
| Article Data: | 23 |
| Molecular Structure: | |
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|
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| Formula: | C5H10 Cl2 O2 |
| Molecular Weight: | 173.039 |
| Synonyms: | Methane,bis(2-chloroethoxy)- (6CI,7CI,8CI); 1,7-Dichloro-3,5-dioxaheptane;Bis(2-chloroethoxy)methane; Bis(2-chloroethyl) formal; Bis(b-chloroethyl) formal;Di(2-chloroethoxy)methane; Di-2-chloroethyl formal; Formaldehydebis(2-chloroethyl) acetal; Formaldehyde bis(b-chloroethyl) acetal; NSC 5212 |
| EINECS: | 203-920-2 |
| Density: | 1.18g/cm3 |
| Melting Point: | -32.3°C |
| Boiling Point: | 205.9 °C at 760 mmHg |
| Flash Point: | 76.9 °C |
| Solubility: | Water Solubility: Slightly soluble |
| Appearance: | white crystal solid. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 25 |
| Safety: | Poison by ingestion, inhalation, and skin contact. A skin and eye irritant. Combustible when exposed to heat or flame. Incompatible with oxidizers. To fight fire, use alcohol foam, foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORIDES. |
| PSA: | 18.46000 |
| LogP: | 1.45470 |
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Chemistry
Molecular Formula: C5H10Cl2O2
Molar mass: 173.04 g/mol
EINECS: 203-920-2
Density: 1.18 g/cm3
Flash Point: 76.9 °C
Index of Refraction: 1.437
Boiling Point: 205.9 °C at 760 mmHg
Vapour Pressure: 0.35 mmHg at 25°C
Water solubility: Slightly soluble in water
Appearance: A colorless liquid
Structure of Bis(2-chloroethoxy)methane (111-91-1):
XLogP3-AA: 1.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name of Bis(2-chloroethoxy)methane (111-91-1): 1-Chloro-2-(2-chloroethoxymethoxy)ethane
SMILES: ClCCOCOCCCl
InChI: InChI=1/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
InChIKey: NLXGURFLBLRZRO-UHFFFAOYAO
Std. InChI: InChI=1S/C5H10Cl2O2/c6-1-3-8-5-9-4-2-7/h1-5H2
Std. InChIKey: NLXGURFLBLRZRO-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | skn-rbt 10 mg/24H open | JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63. | ||
| 2. | eye-rbt 500 mg | AJOPAA American Journal of Ophthalmology. 29 (1946),1363. | ||
| 3. | orl-rat LD50:65 mg/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63. | ||
| 4. | ihl-rat LCLo:62 ppm/4H | JIHTAB Journal of Industrial Hygiene and Toxicology. 31 (1949),343. | ||
| 5. | skn-gpg LD50:170 mg/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 30 (1948),63. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion, inhalation, and skin contact. A skin and eye irritant. Combustible when exposed to heat or flame. Incompatible with oxidizers. To fight fire, use alcohol foam, foam, CO2, dry chemical. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORIDES.
Hazard Codes: Xi.gif){kind=small}
Specification
Bis(2-chloroethoxy)methane (111-91-1) also can be called Ethane, 2,2'-[methylenebis(oxy)]bis[1-chloro- ; Formaldehyde bis(.beta.-chloroethyl) acetal ; 1-Chloro-2-[(2-chloroethoxy)methoxy]ethane ; 1,1'-[methylenebis(oxy)]bis(2-chloroethane) ;and 1,1'-[methanediylbis(oxy)]bis(2-chloroethane) .