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1,3-Diiodopropane 75%

CAT: 0286-D31600-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-D31600-01Size:100 g
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CAS Number
627-31-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001097
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

1,3-Diiodopropane
CAS Number627-31-6
PubChem CID12314
IUPAC Name1,3-diiodopropane
Molecular FormulaC3H6I2
Molecular Weight295.89
XLogP3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity12
SMILES
C(CI)CI
InChI
InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2
InChIKey
AAAXMNYUNVCMCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Diiodopropane
CAS: 627-31-6
CID: 12314
Formula: C3H6I2
MW: 295.89
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight295.89
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass295.85590
Monoisotopic Mass295.85590
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity12.4
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