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3570-58-9

Basic Information
CAS No.: 3570-58-9
Name: 2-CHLOROETHYL METHANESULFONATE
Article Data: 16
Molecular Structure:
Molecular Structure of 3570-58-9 (2-CHLOROETHYL METHANESULFONATE)
Formula: C3H7 Cl O3 S
Molecular Weight: 158.606
Synonyms: Ethanol,2-chloro-, methanesulfonate (7CI,8CI,9CI);Methanesulfonic acid, 2-chloroethylester (6CI);2-Chloroethyl mesylate;2-Chloroethyl methanesulfonate;CB 1506;NSC 18016;
EINECS: 222-672-6
Density: 1.39 g/mL at 25 °C(lit.)
Melting Point: 6 °C
Boiling Point: 125-126 °C9 mm Hg(lit.)
Flash Point: >230 °F
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-40
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.
Transport Information: UN 2810 6
PSA: 51.75000
LogP: 1.28220
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    CAS: 3570-58-9 MF: C3H7ClO3S MW: 158.6 EINECS: 222-672-6

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Chemistry

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.)

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.    

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Safety Information of 2-Chloroethyl methanesulfonate (CAS NO.3570-58-9):
Hazard Codes: Xn Harmful
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.

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 .