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Methyl p-iodobenzoate 98%

CAT: 0286-M20860-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-M20860-01Size:5 g
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CAS Number
619-44-3
Synonyms
4-Iodobenzoic acid methyl ester
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016353
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

Methyl 4-iodobenzoate
CAS Number619-44-3
PubChem CID69273
IUPAC Namemethyl 4-iodobenzoate
Molecular FormulaC8H7IO2
Molecular Weight262.04
XLogP3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
COC(=O)C1=CC=C(C=C1)I
InChI
InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey
DYUWQWMXZHDZOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-iodobenzoate
CAS: 619-44-3
CID: 69273
Formula: C8H7IO2
MW: 262.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.04
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass261.94908
Monoisotopic Mass261.94908
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
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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