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3-Nitrophthalic Acid 99%

CAT: 0286-N11500-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-N11500-01Size:100 g
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CAS Number
603-11-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007138
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

3-Nitrophthalic acid

structure in first source

CAS Number603-11-2
PubChem CID69043
IUPAC Name3-nitrophthalic acid
Molecular FormulaC8H5NO6
Molecular Weight211.13
XLogP0.7
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity296
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
InChI
InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
KFIRODWJCYBBHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitrophthalic acid
CAS: 603-11-2
CID: 69043
Formula: C8H5NO6
MW: 211.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.13
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass211.01168688
Monoisotopic Mass211.01168688
Topological Polar Surface Area120 Ų
Heavy Atom Count15
Formal Charge0
Complexity296
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

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