2,5-Dichlorobenzenesulfonic acid
Basic information
- CAS
88-42-6- Standard SMILES
O=S(=O)(O)c1cc(Cl)ccc1Cl- InChIKey
LFXZSGVZSSMCMB-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2O3S
- Average molar mass
- 227.06 g/mol
- Monoisotopic mass
- 225.9258205
Names & identifiers
- Preferred name
- 2,5-Dichlorobenzenesulfonic acid
- IUPAC
- 2,5-dichlorobenzenesulfonic acid
- English name
- 2,5-Dichlorobenzenesulfonic acid
- Molecular formula
- C6H4Cl2O3S
- Molecular weight
- 227.07
Names & synonyms
2,5-Dichlorobenzenesulfonic acid2,5-Dichlorobenzenesulphonic acidBenzenesulfonic acid, 2,5-dichloro-NSC 8755NSC-8755EINECS 201-829-2AI3-627893518F21Z53DTXSID7058967Benzenesulfonic acid, 2,5-dichloro-, dihydrateUNII-3518F21Z53RefChem:82805
Show more names
2,5-dichloro-benzenesulfonicaci2,5-Dichlorobenzensulfonic acid2,5-Dichlorobenzenesulfonic Acid 2,5-DICHLOROBENZENSULFONIC ACID DIHYDRATE2,5-Dichlorobenzenesulfonic Acid Dihydrate>
DTXCID7048615LFXZSGVZSSMCMB-UHFFFAOYSA-N88-42-62,5-dichloro-benzenesulfonic acidMFCD000357512,5-dichlorobenzene-1-sulfonic acid2.5-Dichlorobenzenesulfonic acidSCHEMBL198460
Database identifiers
- CAS
88-42-6- PubChem CID
- 66616
- DTXSID
DTXSID7058967- UNII
- 3518F21Z53
- EC Number
- 201-829-2
- Nikkaji
- J30.594D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 97 to · 97.0 to 101.0 °C
- Density
- 1.668 · 1.668
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- -1.47 · -1.47±0.30(Predicted)
- color
- White to Almost white
- FDA UNII
- 3518 F21Z53 · 3518F21Z53
- EPA Substance Registry System
- 2 · Benzenesulfonic acid, 2,5-dichloro- (88-42-6)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314
- Precautionary statements
- 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (99.1%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (99.1%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3261
- hs_code
- 2904.10.3700
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H290-H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 2,5-dichloro-: ACTIVE
Additional notes
Definition2,5-Dichlorobenzenesulfonic Acid is freely soluble in water. Obtained by sulfonating1,4-dichlorobenzene with oleum.
Suppliers
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Related reactions
1 records
Compound notes
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