Basic information
- CAS
2736-23-4- Standard SMILES
NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl- InChIKey
ZSHHRBYVHTVRFK-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2NO4S
- Average molar mass
- 270.09 g/mol
- Monoisotopic mass
- 268.931634
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5-(Aminosulfonyl)-2,4-dichlorobenzoic acid
- IUPAC
- 2,4-dichloro-5-sulfamoylbenzoic acid
- English name
- 2,4-Dichloro-5-sulfamoylbenzoic acid
- Molecular formula
- C7H5Cl2NO4S
- Molecular weight
- 270.09
Names & synonyms
2,4-Dichloro-5-sulfamoylbenzoic acid2736-23-45-(Aminosulfonyl)-2,4-dichlorobenzoic acidBenzoic acid, 5-(aminosulfonyl)-2,4-dichloro-3-Sulfamoyl-4,6-dichlorobenzoic acidM 123255-Carboxy-2,4-dichlorobenzenesulfonamide5-Aminosulfonyl-2,4-dichlorobenzoic acidBENZOIC ACID, 2,4-DICHLORO-5-SULFAMOYL-LEG53TF0SNDTXSID90181791M-12325
Show more names
Lassamide2,4-Dichlor-5-sulfamoylbenzoesure2,4-Dichloro-5-sulphamoylbenzoic AcLasamide(2,4-Dichloro-5-Sulfamoyl Benzoic Acid)TIMTEC-BB SBB001061DichlorosulfonamideLeadQuest Compound 92,4-Dichloro-5-sulfa
RefChem:82340DTXCID30104282220-358-3Lasamide2,4-Dichloro-5-sulfamoyl-benzoic acidFurosemide EP impurity B2,4-Dichloro-5-sulphamoylbenzoic acidMFCD00007931
Database identifiers
- CAS
2736-23-4- PubChem CID
- 17655
- DTXSID
DTXSID90181791- ChEMBL
CHEMBL120886- UNII
- LEG53TF0SN
- EC Number
- 220-358-3
- Nikkaji
- J41.159K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
Physical DescriptionPowder; [MSDSonline]
Physicochemical properties
- Melting point
- 230 · 230-232 °C (dec.)(lit.)
- Boiling point
- 503.8 · 503.8±60.0 °C(Predicted)
- Density
- 1.5426 · 1.5426 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- pka
- 2.08 · 2.08±0.25(Predicted)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- insoluble
- Major Application
- pharmaceutical small molecule
- InChI
- InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
- InChIKey
- ZSHHRBYVHTVRFK-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(S(N)(=O)=O)=C(Cl)C=C1Cl
- CAS DataBase Reference
- 2736 · 2736-23-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 53 TF0SN · LEG53TF0SN
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 303 · H303-H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P310-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- RTECS
- 8100000 · DG8100000
- HS Code
- 29350090 · 29350090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 · mouse,LD50,intraperitoneal,15gm/kg (15000mg/kg),Pharmaceutical Chemistry Journal Vol. 19, Pg. 697, 1985.
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2,4-dichloro-5-sulphamoylbenzoic acid (EC: 220-358-3)
Hazards Summary
Exposure occurs during the handling, drying and packaging of lasamide at production plants in the Czech Republic, China, and India; Nonspecific bronchoconstriction tests were positive in 3 workers with occupational rhinitis and asthma; [Reference #1] A skin, eye, and respiratory tract irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxicology
Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.
Safety data
- wgk
- 3
- rtecs
- DG8100000
- hs_code
- 29350090
- Toxicity
- mouse,LD50,intraperitoneal,15gm/kg (15000mg/kg),Pharmaceutical Chemistry Journal Vol. 19, Pg. 697, 1985.
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H303-H335-H315-H318
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P310-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
UsesUsed to make furosemide (Lasix), a medication used as a diuretic; [Reference #1]
Applications
Uses2,4-Dichloro-5-sulfamoylbenzoic Acid is a chlorinated sulfamoylbenzoic acid with diuretic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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