4-Chloro-3-(dimethylsulfamoyl)benzoic acid
Basic information
- CAS
59210-61-6- Standard SMILES
CN(C)S(=O)(=O)c1cc(C(=O)O)ccc1Cl- InChIKey
YMPQIPORTHDIJK-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO4S
- Average molar mass
- 263.7 g/mol
- Monoisotopic mass
- 263.0019067
Names & identifiers
- Preferred name
- 4-Chloro-3-(dimethylsulfamoyl)benzoic acid
- IUPAC
- 4-chloro-3-(dimethylsulfamoyl)benzoic acid
- English name
- 4-Chloro-3-[(dimethylamino)sulfonyl]benzoic acid
- Molecular formula
- C9H10ClNO4S
- Molecular weight
- 263.7
Names & synonyms
4-chloro-3-(dimethylsulfamoyl)benzoic AcidRefChem:521239899-416-059210-61-64-chloro-3-[(dimethylamino)sulfonyl]benzoic acid4-chloro-3-(N,N-dimethylsulfamoyl)benzoic acidMFCD026757894-chloro-3-(dimethylsulfamoyl)benzoate4-CHLORO-3-((DIMETHYLAMINO)SULFONYL)BENZOIC ACIDSCHEMBL11596061YMPQIPORTHDIJK-UHFFFAOYSA-NJCA21061
Show more names
Benzoic acid, 4-chloro-3-[(dimethylamino)sulfonyl]-
AKOS001046598AT135694-chloro-3-dimethylsulfamoylbenzoic acidDA-39650SY139494CS-0231500EN300-108574-chloro-3-(N,N-dimethylsulfamoyl)benzoicacid
Database identifiers
- CAS
59210-61-6- PubChem CID
- 853079
- EC Number
- 899-416-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- HS Code
- 2935909099 · 2935909099
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
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2935909099
Suppliers
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Related reactions
2 records
Compound notes
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