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Cas Database |
| Name |
2-Chloroethyl methanesulfonate |
EINECS | 222-672-6 |
| CAS No. | 3570-58-9 | Density | 1.39 g/mL at 25 °C(lit.) |
| PSA | 51.75000 | LogP | 1.28220 |
| Solubility | N/A | Melting Point |
6 °C |
| Formula | C3H7 Cl O3 S | Boiling Point | 125-126 °C9 mm Hg(lit.) |
| Molecular Weight | 158.606 | Flash Point | >230 °F |
| Transport Information | UN 2810 6 | Appearance | N/A |
| Safety | Poison by ingestion, intravenous, and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. See also SULFONATES. When heated to decomposition it emits very toxic fumes of Cl− and SOx. | Risk Codes | 20/21/22-40 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Ethanol,2-chloro-, methanesulfonate (7CI,8CI,9CI);Methanesulfonic acid, 2-chloroethylester (6CI);2-Chloroethyl mesylate;2-Chloroethyl methanesulfonate;CB 1506;NSC 18016; |
Article Data | 16 |
2-Chloroethyl methanesulfonate Chemical Properties
Molecular Structure of 2-Chloroethyl methanesulfonate (CAS NO.3570-58-9):
EINECS: 222-672-6
IUPAC Name: 2-Chloroethyl methanesulfonate
Molecular Formula: C3H7ClO3S
Molecular Weight: 158.603880 g/mol
XLogP3-AA: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CS(=O)(=O)OCCCl
InChI: InChI=1S/C3H7ClO3S/c1-8(5,6)7-3-2-4/h2-3H2,1H3
InChIKey: FMMYTRQXHORTCU-UHFFFAOYSA-N
Index of Refraction: 1.448
Molar Refractivity: 31.32 cm3
Molar Volume: 116.8 cm3
Surface Tension: 39.4 dyne/cm
Density: 1.357 g/cm3
Flash Point: 123 °C
Enthalpy of Vaporization: 48.39 kJ/mol
Boiling Point: 266.2 °C at 760 mmHg
Vapour Pressure: 0.0144 mmHg at 25 °C
Melting Point: 6 °C
Water Solubility: 5.852e+004 mg/L at 25 °C
Refractive Index: n20/D 1.456(lit.)
2-Chloroethyl methanesulfonate Toxicity Data With Reference
| 1. | dnd-dmg-par 10,500 µmol/L | CNREA8 Cancer Research. 30 (1970),195. | ||
| 2. | sln-dmg-par 15 mmol/L | ANYAA9 Annals of the New York Academy of Sciences. 68 (1958),731. | ||
| 3. | mmo-nsc 100 mmol/L | MGBUA3 Microbial Genetics Bulletin. 17 (1960),5. | ||
| 4. | mmo-ssp 8 mmol/L | ADWMAX ADWMAX Abhandlungen der Deutschen Akademie der Wissenschaften zu Berlin, Klasse fuer Medizin .Berlin, Ger. Dem. Rep..: 1962,193. | ||
| 5. | ipr-rat LD50:135 mg/kg | CNCRA6 Cancer Chemotherapy Reports. 9 (1960),56. | ||
| 6. | ivn-rat LD50:143 mg/kg | CNCRA6 Cancer Chemotherapy Reports. 9 (1960),56. | ||
| 7. | ipr-mus LD50:182 mg/kg | CNCRA6 Cancer Chemotherapy Reports. 9 (1960),56. | ||
| 8. | ivn-mus LD50:182 mg/kg | CNCRA6 Cancer Chemotherapy Reports. 9 (1960),56. | ||
| 9. | ivn-dog LDLo:32 mg/kg | CCSUBJ Cancer Chemotherapy Reports, Part 2. 2 (1965),203. | ||
| 10. | ivn-mky LD50:127 mg/kg | CNCRA6 Cancer Chemotherapy Reports. 9 (1960),56. | ||
| 11. |
2-Chloroethyl methanesulfonate Consensus Reports
EPA Genetic Toxicology Program.
2-Chloroethyl methanesulfonate Safety Profile
Safety Information of 2-Chloroethyl methanesulfonate (CAS NO.3570-58-9):
Hazard Codes: Xn 
Risk Statements: 20/21/22-40
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed
R40:Limited evidence of a carcinogenic effect
Safety Statements: 23-36/37/39-45
S23:Do not breathe vapour
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: KK1960000
Poison by ingestion, intravenous, and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. See also SULFONATES. When heated to decomposition it emits very toxic fumes of Cl− and SOx.
2-Chloroethyl methanesulfonate Specification
2-Chloroethyl methanesulfonate with CAS registry number of 3570-58-9 is known as 2-Chloroethylmethanesulfonate ; 2-Chloroethylmethanesulfonate, puriss ; 4-04-00-00012 (Beilstein Handbook Reference) ; AI3-26395 ; CB 1506 ; Chloroethyl methanesulfonate ; Chloroethyl methanesulphonate ; Methanesulfonic acid, 2-chloroethyl ester ; Methanesulfonic acid, chloroethyl ester ; NSC 18016 ; beta-Chloroethylmethanesulfonate ; Ethanol, 2-chloro-, methanesulfonate .
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