CAS 37088-27-0 2-Chloro-5-(dimethylsulfamoyl)benzoic acid (HCID 2324784)

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Basic information

CAS: 37088-27-0
Standard SMILES: CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
InChIKey: GHZFXVLKFOAKRO-UHFFFAOYSA-N
Molecular formula: C9H10ClNO4S
Average molar mass: 263.7 g/mol

Names & identifiers

Preferred name: 2-Chloro-5-(dimethylsulfamoyl)benzoic acid
IUPAC: 2-chloro-5-(dimethylsulfamoyl)benzoic acid
English name: 2-Chloro-5-dimethylsulfamoyl-benzoic acid
Molecular formula: C9H10ClNO4S
Molecular weight: 263.7

Names & synonyms

2-chloro-5-(dimethylsulfamoyl)benzoic AcidRefChem:469213851-854-337088-27-02-Chloro-5-dimethylsulfamoyl-benzoic acid2-chloro-5-(N,N-dimethylsulfamoyl)benzoic acidMFCD00129815F3284-80602-chloro-5-dimethylsulfamoylbenzoic acid5-[(dimethylamino)sulfonyl]-2-chlorobenzoic acidBenzoic acid,2-chloro-5-[(dimethylamino)sulfonyl]-SCHEMBL3919280

Show more names

2-CHLORO-5-[(DIMETHYLAMINO)SULFONYL]BENZOIC ACIDGHZFXVLKFOAKRO-UHFFFAOYSA-NSMSSF-0614433SBB016581AKOS000274353SY132334VS-02325CS-0451742

Database identifiers

CAS: 37088-27-0
PubChem CID: 2324784
EC Number: 851-854-3

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 362

Physicochemical properties

Melting point: 172 · 172-175 °C
Boiling point: 428.3 · 428.3±55.0 °C(Predicted)
Density: 1.469 · 1.469±0.06 g/cm3(Predicted)
solubility: Chloroform (Slightly, Heated), Ethyl Acetate (Slightly)
form: Solid
pka: 2.36 · 2.36±0.25(Predicted)
color: White to Pale Orange
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P