Basic information
- CAS
121-30-2- Standard SMILES
Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O- InChIKey
IHJCXVZDYSXXFT-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3O4S2
- Average molar mass
- 285.7 g/mol
- Monoisotopic mass
- 284.9644758
Overview
Chloraminophenamide is a sulfonamide.
Names & identifiers
- Preferred name
- 4-Amino-6-chloro-1,3-benzenedisulfonamide
- IUPAC
- 4-amino-6-chlorobenzene-1,3-disulfonamide
- English name
- 4-Amino-6-chlorobenzene-1,3-disulfonamide
- Molecular formula
- C6H8ClN3O4S2
- Molecular weight
- 285.73
Names & synonyms
121-30-24-Amino-6-chloro-1,3-benzenedisulfonamideChloraminophenamideIdoreseChloroaminophenamide1,3-Benzenedisulfonamide, 4-amino-6-chloro-3-Chloro-4,6-disulfamoylaniline5-Chloro-2,4-disulfamoylanilinem-Benzenedisulfonamide, 4-amino-6-chloro-4-amino-6-chloro-benzene-1,3-disulfonamide3A52O8YREJ2-Amino-4-chloro-m-benzenedisulfonamide
Show more names
Benzothiadiazine Related CoMpound AHydrochlorothiazide EP Impurity B4-amino-6-chloro-1,3-benzenedisulphonamideSalmidNSC 937723-disulfonamideFine sulfonamides
2-ACBDSNSC-93772DTXSID1059521SU-5683RefChem:912333DTXCID6033667204-463-14-Amino-6-chlorobenzene-1,3-disulfonamide
Database identifiers
- CAS
121-30-2
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 451
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Hydrochlorthiazide
LogP-0.56
Physicochemical properties
- Melting point
- 257 · 257-261 °C(lit.)
- Boiling point
- 614.4 · 614.4±65.0 °C(Predicted)
- Density
- 1.584 · 1.584 (estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.24 · 9.24±0.60(Predicted)
- form
- Powder
- color
- White to off-white
- Merck
- 14 · 14,2076
- BRN
- 1083877 · 1083877
- InChI
- InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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 66.7% (20 of 30) of all reports.
Warning
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Benzenedisulfonamide, 4-amino-6-chloro-
REACH registered substance: 4-amino-6-chlorobenzene-1,3-disulphonamide (EC: 204-463-1)
1,3-Benzenedisulfonamide, 4-amino-6-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29350090
- risk_code
- 23/24-33-20/21
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 28-36/37-36/37/39-26-22
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals -> Transformation products
General Manufacturing Information1,3-Benzenedisulfonamide, 4-amino-6-chloro-: ACTIVE
Applications
Description4-Amino-6-chlorobenzene-1,3-disulfonamide is obtained by treating the chloride with ammonia in tert-butanol and concentrating the solution by evaporation; the yield is 80 %. Condensation with formic acid gives 6-chloro-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide, an important diuretic.
UsesDiuretic.
Uses4-Amino-6-chloro-1,3-benzenedisulfonamide was used in the synthesis of deuterated thiazides by undergoing condensation with appropriately labeled aldehydes.
General DescriptionPharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
Upstream & downstream products
Upstream raw materials
Related reactions
14 records
Compound notes
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