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CAS No.: | 7790-94-5 |
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Name: | Chlorosulfonic acid |
Molecular Structure: | |
Formula: | ClHO3S |
Molecular Weight: | 116.525 |
Synonyms: | Chlorosulfonicacid;Monochlorosulfonic acid;Monochlorosulfuric acid;Sulfuric acidchlorohydrin;Sulfuric chlorohydrin; |
EINECS: | 232-234-6 |
Density: | 1.993 g/cm3 |
Melting Point: | -80 °C |
Boiling Point: | 158 °C at 760 mmHg |
Flash Point: | 158 °C |
Solubility: | reacts |
Appearance: | clear to light yellow liquid |
Hazard Symbols: | C |
Risk Codes: | 14-35-37 |
Safety: | 26-45 |
Transport Information: | UN 1754 |
PSA: | 62.75000 |
LogP: | 1.10880 |
The Chlorosulfuric acid, with the CAS registry number 7790-94-5, is also known as Monochlorosulfuricacid. It belongs to the product categories of Pharmaceutical Intermediates; Inorganics; Glycosides Chemical Synthesis; Inorganic Acids Derivatization Reagents TLC; Steroids, Terpenes, Lipids, Bile Acids Derivatization Reagents TLC; Derivatization Reagents TLC; Synthetic Reagents; TLC Reagents, A-C; TLC Visualization Reagents (alphabetic sort); TLC Visualization Reagents (by application). Its EINECS registry number is 232-234-6. This chemical's molecular formula is ClHO3S and molecular weight is 116.52. What's more, both its IUPAC name and systematic name are the same which is called Sulfurochloridic acid. The production is a distillable, colorless liquid that should be handled with care. It is a hygroscopic and a powerful lachrymator.
Physical properties about Chlorosulfuric acid are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.39; (4)ACD/LogD (pH 7.4): -3.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 51.75 Å2; (11)Index of Refraction: 1.501; (12)Molar Refractivity: 17.22 cm3; (13)Molar Volume: 58.4 cm3; (14)Surface Tension: 72.3 dyne/cm; (15)Density: 1.993 g/cm3; (16)Enthalpy of Vaporization: 43.53 kJ/mol; (17)Boiling Point: 158 °C at 760 mmHg; (18)Vapour Pressure: 1.41 mmHg at 25 °C.
Preparation of Chlorosulfuric acid: this chemical can be prepared by Hydrogen chloride with Sulfur trioxide.
HCl + SO3 → ClSO3H
Uses of Chlorosulfuric acid: (1) it is used as sulfonating agents, smoke agents and it is used to produce pesticides, detergent, ion exchange resin, drugs and saccharin; (2) it is used to produce other chemicals. For example, it can react with Toluene to get Toluene sulfonyl chloride.
CH3C6H5 + 2ClSO3 → CH3C6H4SO2Cl + H2SO4
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact. It reacts violently with water and may cause severe burns. In addition, it is irritating to respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)O
(2) InChI: InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)
(3) InChIKey: XTHPWXDJESJLNJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | inhalation | 4779mg/m3/4H (4779mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0541018, |
rat | LD50 | oral | 50mg/kg (50mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0570953, |