3-((4-(2-Chlorophenoxy)phenyl)sulfonamido)benzoic acid
Basic information
- CAS
606944-47-2- Standard SMILES
O=C(O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c1- InChIKey
QXSFFURZDXELKC-UHFFFAOYSA-N- Molecular formula
- C19H14ClNO5S
- Average molar mass
- 403.8 g/mol
- Monoisotopic mass
- 403.0281214
Names & identifiers
- Preferred name
- 3-((4-(2-Chlorophenoxy)phenyl)sulfonamido)benzoic acid
- IUPAC
- 3-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic acid
- English name
- 3-[4-(2-Chlorophenoxy)phenylsulfonamido]benzoic acid
- Molecular formula
- C19H14ClNO5S
- Molecular weight
- 403.84
Names & synonyms
606944-47-23-((4-(2-chlorophenoxy)phenyl)sulfonamido)benzoic acid3-[4-(2-Chlorophenoxy)phenylsulfonamido]benzoic acid3-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]benzoic Acid3-(4-(2-chlorophenoxy)phenylsulfonamido)benzoic acidMFCD062612103-[4-(2-CHLOROPHENOXY)BENZENESULFONAMIDO]BENZOIC ACIDBenzoicacid, 3-[[[4-(2-chlorophenoxy)phenyl]sulfonyl]amino]-DTXSID10393374AKOS000805759AS-69206SY303404
Show more names
CS-0071695E80971F603824F9995-07143-[[[4-(2-Chlorophenoxy)phenyl]sulfonyl]amino]benzoic acid3-[4-(2-Chlorophenoxy)benzene-1-sulfonamido]benzoic acid3-{[4-(2-Chlorophenoxy)benzene-1-sulfonyl]amino}benzoic acidBenzoic acid, 3-[[[4-(2-chlorophenoxy)phenyl]sulfonyl]amino]-
Database identifiers
- CAS
606944-47-2- PubChem CID
- 3530953
- DTXSID
DTXSID10393374- EC Number
- 688-350-6
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Melting point
- 183 · 183-185℃
- Boiling point
- 575.6 · 575.6±60.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.96 · 3.96±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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