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5-Nitro-1 10-phenanthroline

CAT: 0286-N10370-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
4199-88-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004981
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; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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

5-Nitro-1,10-phenanthroline

Nitroferroin is a member of phenanthrolines.

CAS Number4199-88-6
PubChem CID72790
IUPAC Name5-nitro-1,10-phenanthroline
Molecular FormulaC12H7N3O2
Molecular Weight225.20
XLogP2.3
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity305
SMILES
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H
InChIKey
PDDBTWXLNJNICS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitro-1,10-phenanthroline
CAS: 4199-88-6
CID: 72790
Formula: C12H7N3O2
MW: 225.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.20
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass225.053826475
Monoisotopic Mass225.053826475
Topological Polar Surface Area71.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity305
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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