4-Chlorobenzenesulfonic acid
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4-Chlorobenzenesulfonic acid
structure -
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CAS No:
98-66-8
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Formula:
C6H5ClO3S
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Chemical Name:
4-Chlorobenzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,4-chloro-;Benzenesulfonic acid,p-chloro-;4-Chlorobenzenesulfonic acid;p-Chlorobenzenesulfonic acid;p-Chlorophenylsulfonic acid;Benzene-1-chloro-4-sulfonic acid;NSC 9914;1323618-70-7
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CAS No:
4-Chlorobenzenesulfonic acid Basic Attributes
192.62
192.62
202-690-0
5CN6B87IK2
DTXSID7044473
29041000
Characteristics
62.8
0.6
grayish crystals
1.6±0.1 g/cm3
67 °C
149 °C22 mm Hg(lit.)
108ºC
1.591
H2O: very faint turbidity
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
Oral-rat LD50: > 500 mg/kg
Thermal decomposition releases toxic sulfur oxides and chloride fumes
Safety Information
Ⅱ
8
UN 2583 8/PG 2
3
34-22
26-27-28-36/37/39-45-24/25
DB5074000
C
The warehouse is low-temperature, ventilated and dry
Stable. Incompatible with strong oxidizing agents.
P280-P305 + P351 + P338-P310
H302-H314
|Danger|H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 60 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Chlorobenzenesulfonic acid Use and Manufacturing
(1) Diazotized and eliminated p-aminobenzene sulfonic acid. Add p-aminobenzene sulfonic acid and hydrochloric acid to water, cool to below 20°C, add sodium nitrite solution dropwise, and obtain diazonium liquid when the reaction reaches the end. In addition, copper sulfate and sodium chloride are added to water at about 80°C, and alkaline sodium sulfite solution is added dropwise after all of them are dissolved. After adding the reaction for 20 minutes, cool to room temperature, stand still, wash the precipitate with decantation, add hydrochloric acid to dissolve, cool to below 0°C, add dropwise the above diazonium solution to generate p-chlorobenzenesulfonic acid. The reaction solution is heated to 80° C., salt is added for salting out, and filtered to obtain sodium p-chlorobenzene sulfonate. (2) From the sulfonation of chlorobenzene, add 98% concentrated sulfuric acid and 10% fuming sulfuric acid to the reaction pot, stir for 15min, gradually add dry chlorobenzene, stir at 95-100℃ for 5h, check the end point of sulfonation . When reaching the end point, the acidity of the reactant is not more than 70% and can be completely dissolved in water.
Pharmaceutical and dye intermediates.
< 25,000 lb
All other basic organic chemical manufacturing|Benzenesulfonic acid, 4-chloro-: ACTIVE
Computed Properties
Molecular Weight:192.62
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:191.9647929
Monoisotopic Mass:191.9647929
Topological Polar Surface Area:62.8
Heavy Atom Count:11
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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