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2,5-Diiodobenzoic acid

CAT: 1266-JH633364Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH633364Size:1 Each
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CAS Number
14192-12-2
UN Code
UN 3439
Hazard Statement
Xn
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C7H4I2O2
Molecular Weight
373.91
Product Name Synonym
Benzoic acid, 2,5-diiodo-
Physical Properties
White powder
Hazardous Class
6.1
Safety Statements
S26; S36
Density
2.559 g/cm3
Flash Point
190.7oC
RIDADR
UN 3439
Melting Point
183-187oC (lit.)

Chemical Information

2,5-Diiodobenzoic acid
CAS Number14192-12-2
PubChem CID26549
IUPAC Name2,5-diiodobenzoic acid
Molecular FormulaC7H4I2O2
Molecular Weight373.91
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity161
SMILES
C1=CC(=C(C=C1I)C(=O)O)I
InChI
InChI=1S/C7H4I2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
NSKPFWAAYDFCFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Diiodobenzoic acid
CAS: 14192-12-2
CID: 26549
Formula: C7H4I2O2
MW: 373.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.91
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass373.83007
Monoisotopic Mass373.83007
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity161
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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