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5-Chloro-2-methoxyiodobenzene

CAT: 0286-C13955Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-C13955Size:5 g
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CAS Number
52807-27-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00052858
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
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

4-Chloro-2-iodoanisole
CAS Number52807-27-9
PubChem CID2800978
IUPAC Name4-chloro-2-iodo-1-methoxybenzene
Molecular FormulaC7H6ClIO
Molecular Weight268.48
XLogP3.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
COC1=C(C=C(C=C1)Cl)I
InChI
InChI=1S/C7H6ClIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKey
CXXXAGIYCFOGHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-2-iodoanisole
CAS: 52807-27-9
CID: 2800978
Formula: C7H6ClIO
MW: 268.48
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.48
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass267.91519
Monoisotopic Mass267.91519
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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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