Benzenesulfonic acid, 4-amino-2,5-dichloro-
Basic information
- CAS
88-50-6- Standard SMILES
Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl- InChIKey
SJCTXIKOXTUQHC-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2NO3S
- Average molar mass
- 242.08 g/mol
- Monoisotopic mass
- 240.9367196
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-amino-2,5-dichloro-
- IUPAC
- 4-amino-2,5-dichlorobenzenesulfonic acid
- English name
- 4-Amino-2,5-dichlorobenzenesulfonic acid
- Molecular formula
- C6H5Cl2NO3S
- Molecular weight
- 242.08
Names & synonyms
88-50-64-Amino-2,5-dichlorobenzenesulfonic acid2,5-Dichloroaniline-4-sulfonic acidBenzenesulfonic acid, 4-amino-2,5-dichloro-Sulfanilic acid, 2,5-dichloro-4-Amino-2,5-dichlorobenzenesulphonic acidNSC 1128EINECS 201-836-0DTXSID6058970EC 201-836-0RefChem:564521DTXCID2048618
Show more names
2,5-DichlorosulfanilicAci2,5-dichlorosulphanilicacid2,5-DICHLORO-4-SULFOANILINE2,5-Dichlorosulfanilic Acid >2,5-DICHLOROANILINE-4-SULFONIC ACID1-AMINO-2,5-DICHLORO-4-SULFOBENZENE2,5-DICHLORO-5-SULFAMOYLBENZOIC ACID4-amino-2,5-dichloro-benzenesulfonicaci
Sulfanilic acid, 2,5-dichloro-(8CI)201-836-02,5-Dichlorosulfanilic acid4-amino-2,5-dichlorobenzene-1-sulfonic acidMFCD00025159JHW8L29VQL4-amino-2,5-dichloro-benzenesulfonic acidNSC1128
Database identifiers
- CAS
88-50-6- PubChem CID
- 66619
- DTXSID
DTXSID6058970- UNII
- JHW8L29VQL
- EC Number
- 201-836-0
- Nikkaji
- J168.365I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Density
- 1.749 · 1.749±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- -2.07 · -2.07±0.50(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 88 · 88-50-6(CAS DataBase Reference)
- FDA UNII
- 8 L29VQL · JHW8L29VQL
- EPA Substance Registry System
- 2 · 2,5-Dichlorosulfanilic acid (88-50-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
- TSCA
- TSCA listed
- HS Code
- 2921.42 · 2921.42.3600
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.
Warning
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4-amino-2,5-dichlorobenzenesulphonic acid (EC: 201-836-0)
Hazard Classes and CategoriesAcute Tox. 4 (93.2%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2921.42.3600
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-amino-2,5-dichloro-: ACTIVE
Applications
Uses4-Amino-2,5-dichlorobenzenesulfonic acid is used as a pharmaceutical and dye intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
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Compound notes
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