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Phthalylsulfacetamide

CAT: 0286-P18500-02Size: 500 gDry Ice: NoHazardous: No
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CAS Number
131-69-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00020275
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Phthalylsulfacetamide

Phthalylsulfacetamide is a member of benzamides.

CAS Number131-69-1
PubChem CID8574
IUPAC Name2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
Molecular FormulaC16H14N2O6S
Molecular Weight362.4
XLogP1
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity619
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22)
InChIKey
SNWQKAWITMVCQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phthalylsulfacetamide
CAS: 131-69-1
CID: 8574
Formula: C16H14N2O6S
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass362.05725734
Monoisotopic Mass362.05725734
Topological Polar Surface Area138 Ų
Heavy Atom Count25
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS578012Phthalylsulfacetamide
A17379-5000Phthalylsulfacetamide 5g
A17379-10000Phthalylsulfacetamide 10g
A17379-500Phthalylsulfacetamide 500mg
A17379-10mM-DPhthalylsulfacetamide 10mM * 1mL in DMSO

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