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Name |
Chloromethyl chlorosulfate |
EINECS | 256-442-1 |
CAS No. | 49715-04-0 | Density | 1.733 g/cm3 |
PSA | 51.75000 | LogP | 1.76370 |
Solubility | reacts | Melting Point |
N/A |
Formula | CH2Cl2O3S | Boiling Point | 192.6 °C at 760 mmHg |
Molecular Weight | 164.997 | Flash Point | 70.3 °C |
Transport Information | UN 1760 8/PG 3 | Appearance | Clear colourless to yellow liquid |
Safety | 26-36/37/39-45-28A | Risk Codes | 22-34-26 |
Molecular Structure | Hazard Symbols | C; T+ | |
Synonyms |
Chloromethoxysulfonylchloride;Chlorosulfuric acid (HSO3), chloromethyl ester; |
Article Data | 13 |
dichloromethane
A
chlorosulfuric acid chloromethyl ester
B
[(chlorosulfonyl)oxy]methyl sulfurochloridate
Conditions | Yield |
---|---|
With sulfuric acid; boron tribromide at 20 - 30℃; for 4h; Temperature; | A 85% B 12% |
dichloromethane
chlorosulfuric acid chloromethyl ester
Conditions | Yield |
---|---|
With Trimethyl borate; sulfur trioxide at 20℃; for 0.166667h; | 33% |
With chlorosulfonic acid at 60 - 130℃; |
formaldehyd
chlorosulfuric acid chloromethyl ester
Conditions | Yield |
---|---|
Stage #1: formaldehyd With chlorosulfonic acid at 20 - 80℃; Stage #2: With thionyl chloride at 60℃; Product distribution / selectivity; | 30% |
With chlorosulfonic acid at 70℃; und Destillation unter ca.13 mm Druck; |
chlorobromomethane
chlorosulfuric acid chloromethyl ester
Conditions | Yield |
---|---|
With chlorosulfonic acid for 3h; Heating; | 30% |
With chlorosulfonic acid for 3h; Heating; | 30% |
formaldehyd
A
chlorosulfuric acid chloromethyl ester
B
[1,3,2]dioxathietane-2,2-dioxide
Conditions | Yield |
---|---|
With chlorosulfonic acid |
bis(2-chloromethyl)ether
chlorosulfuric acid chloromethyl ester
Conditions | Yield |
---|---|
With chlorosulfonic acid at 70℃; | |
With sulfur trioxide durch Destillation das hergestellten Gemisch unter 28 mm Druck; |
bischloromethyl sulfate
chlorosulfuric acid chloromethyl ester
Conditions | Yield |
---|---|
With chlorosulfonic acid at 70 - 80℃; |
bischloromethyl sulfate
A
chlorosulfuric acid chloromethyl ester
B
[1,3,2]dioxathietane-2,2-dioxide
Conditions | Yield |
---|---|
With chlorosulfonic acid at 70 - 80℃; |
[1,3,5,7,2,6]tetroxadithiocane 2,2,6,6-tetraoxide
chlorosulfuric acid chloromethyl ester
Conditions | Yield |
---|---|
With chlorosulfonic acid bei der Destillation unter 12 mm Druck; |
carbonochloridic acid, chloromethyl ester
chlorosulfuric acid chloromethyl ester
Conditions | Yield |
---|---|
With chlorosulfonic acid at 100℃; |
The Chloromethyl chlorosulfate, with the CAS registry number 49715-04-0 and EINECS registry number 256-442-1, has the systematic name of chloromethyl chlorosulfate. And the molecular formula of this chemical is CH2Cl2O3S. It is a kind of clear colourless to yellow liquid, and belongs to the product category of API intermediates. What's more, it should be stored in 2-8°C.
The physical properties of Chloromethyl chlorosulfate are as following: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.94; (6)ACD/BCF (pH 7.4): 2.94; (7)ACD/KOC (pH 5.5): 75.33; (8)ACD/KOC (pH 7.4): 75.33; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.476; (14)Molar Refractivity: 26.89 cm3; (15)Molar Volume: 95.2 cm3; (16)Polarizability: 10.66×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.733 g/cm3; (19)Flash Point: 70.3 °C; (20)Enthalpy of Vaporization: 41.13 kJ/mol; (21)Boiling Point: 192.6 °C at 760 mmHg; (22)Vapour Pressure: 0.675 mmHg at 25°C.
Uses of Chloromethyl chlorosulfate: It can react with N-tert-butoxycarbonyl-glycine to produce N-tert-butoxycarbonyl-glycine chloromethyl ester. This reaction will need reagents NaHCO3 and n-Bu4NHSO4, and the solvent H2O and CH2Cl2. And the yield is about 87%.
You should be cautious while dealing with this chemical. It may cause burns, and harmful if swallowed. It is also very toxic by inhalation. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)OCCl
(2)InChI: InChI=1/CH2Cl2O3S/c2-1-6-7(3,4)5/h1H2
(3)InChIKey: PJBIHXWYDMFGCV-UHFFFAOYAR