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| CAS No.: | 80-41-1 |
|---|---|
| Name: | 2-CHLOROETHYL P-TOLUENESULFONATE |
| Article Data: | 22 |
| Molecular Structure: | |
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|
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| Formula: | C9H11 Cl O3 S |
| Molecular Weight: | 234.704 |
| Synonyms: | Ethanol,2-chloro-, 4-methylbenzenesulfonate (9CI);Ethanol, 2-chloro-,p-toluenesulfonate (6CI,7CI,8CI);2-(p-Toluenesulfonyloxy)ethyl chloride;2-Chloro-1-(p-toluenesulfonyl)ethane;2-Chloroethanol p-toluenesulfonate;2-Chloroethanol tosylate;2-Chloroethyl 4-methylbenzenesulfonate;2-Chloroethylp-toluenesulfonate;2-Chloroethyl p-tosylate;2-Chloroethyl tosylate;2-Tosyloxyethyl chloride;NSC 6079;Toluene-4-sulfonic acid 2-chloroethylester;p-Toluenesulfonic acid 2-chloroethyl ester;b-Chloroethyl p-toluenesulfonate;b-Chloroethyl tosylate; |
| EINECS: | 201-277-2 |
| Density: | 1.294 g/mL at 25 °C(lit.) |
| Melting Point: | 157-161℃ |
| Boiling Point: | 153ºC 0.3 mm Hg(lit.) |
| Flash Point: | >230 °F |
| Appearance: | CLEAR COLOURLESS TO YELLOW LIQUID |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R22 |
| Safety: | Moderately toxic by ingestion. An eye irritant. When heated to decomposition it emits toxic fumes of Cl− and SOx. See also SULFONATES. |
| PSA: | 51.75000 |
| LogP: | 3.01990 |
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Chemistry
Molecular Structure of 2-chloroethyl4-methylbenzenesulfonate (CAS NO.80-41-1):
EINECS: 201-277-2
IUPAC Name: 2-Chloroethyl 4-methylbenzenesulfonate
Molecular Formula: C9H11ClO3S
Molecular Weight: 234.699840 g/mol
XLogP3: 2
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCl
InChI: InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChIKey: ZXNMIUJDTOMBPV-UHFFFAOYSA-N
Index of Refraction: 1.528
Molar Refractivity: 56.02 cm3
Molar Volume: 181.7 cm3
Surface Tension: 41.3 dyne/cm
Density: 1.291 g/cm3
Flash Point: 185.5 °C
Enthalpy of Vaporization: 61.81 kJ/mol
Boiling Point: 393.3 °C at 760 mmHg
Vapour Pressure: 4.87E-06 mmHg at 25 °C
Water Solubility: 371.2 mg/L at 25 °C
Refractive Index: n20/D 1.529(lit.)
Storage Temp.: 0-6 °C
BRN: 1968816
Toxicity Data With Reference
| 1. | eye-rbt 500 mg/24H MLD | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,197. | ||
| 2. | orl-rat LD50:498 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,197. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Information of 2-chloroethyl4-methylbenzenesulfonate (CAS NO.80-41-1):
Hazard Codes: Xn 
Risk Statements: 22
R22:Harmful if swallowed
Safety Statements: 23-36/37/39
S23:Do not breathe vapour
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
RIDADR: 2810
WGK Germany: 3
RTECS: XT6475000
HazardClass: 6.1
PackingGroup: III
Moderately toxic by ingestion. An eye irritant. When heated to decomposition it emits toxic fumes of Cl− and SOx. See also SULFONATES.
Specification
2-chloroethyl4-methylbenzenesulfonate with CAS registry number of 80-41-1 colorless - yellow clear liquid, called for 2-(p-Toluenesulfonyloxy)ethyl chloride ; 2-Chlorethylester kyseliny p-toluensulfonove ; 2-Chlorethylester kyseliny p-toluensulfonove [Czech] ; 2-Chloroethanol 4-methylbenzenesulfonate ; 2-Chloroethanol p-toluenesulfonate ; 2-Chloroethyl p-toluenesulfonate ; 2-Chloroethyl p-tosylate ; 2-Tosyloxyethyl chloride ; 2-Chloroethyl toluene-4-sulphonate ; 4-11-00-00249 (Beilstein Handbook Reference) ; AI3-02279 ; NSC 6079 ; beta-Chloroethyl p-toluenesulfonate ; beta-Chloroethylester kyseliny p-toluensulfonove ; beta-Chloroethylester kyseliny p-toluensulfonove [Czech] ; p-Toluenesulfonic acid, 2-chloroethyl ester ; p-Toluenesulfonic acid, beta-chloroethyl ester ; p-Toluenesulfonic acid-2-chloroethyl ester ; Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) ; Ethanol, 2-chloro-, 4-methylbenzenesulfonate ; Ethanol, 2-chloro-, p-toluenesulfonate (8CI) . It is incompatible with strong oxidizing agents, strong bases. When heated to decomposition, it yields Hydrogen chloride , Carbon monoxide , oxides of sulfur , Carbon dioxide .