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4-Nitrobenzophenone 97%

CAT: 0286-N07270-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-N07270-01Size:5 g
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CAS Number
1144-74-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007354
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

Methanone, (4-nitrophenyl)phenyl-
CAS Number1144-74-7
PubChem CID70839
IUPAC Name(4-nitrophenyl)-phenylmethanone
Molecular FormulaC13H9NO3
Molecular Weight227.21
XLogP3.3
Topological Polar Surface Area62.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity284
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H
InChIKey
ZYMCBJWUWHHVRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanone, (4-nitrophenyl)phenyl-
CAS: 1144-74-7
CID: 70839
Formula: C13H9NO3
MW: 227.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight227.21
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass227.058243149
Monoisotopic Mass227.058243149
Topological Polar Surface Area62.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity284
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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