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4-Iodoacetophenone

CAT: 0286-I02420-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-I02420-01Size:5 g
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CAS Number
13329-40-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00045320
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; P321 Specific treatment (see … on this label) ; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P405 Store locked up.

Chemical Information

1-(4-Iodophenyl)ethan-1-one
CAS Number13329-40-3
PubChem CID72869
IUPAC Name1-(4-iodophenyl)ethanone
Molecular FormulaC8H7IO
Molecular Weight246.04
XLogP2.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity125
SMILES
CC(=O)C1=CC=C(C=C1)I
InChI
InChI=1S/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKey
JZJWCDQGIPQBAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Iodophenyl)ethan-1-one
CAS: 13329-40-3
CID: 72869
Formula: C8H7IO
MW: 246.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight246.04
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass245.95416
Monoisotopic Mass245.95416
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity125
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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