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2,6-Dichloropurine

CAT: 0286-D16960-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-D16960-01Size:1 g
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CAS Number
5451-40-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00077725
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

2,6-Dichloropurine
CAS Number5451-40-1
PubChem CID5324412
IUPAC Name2,6-dichloro-7H-purine
Molecular FormulaC5H2Cl2N4
Molecular Weight189.00
XLogP1.7
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
C1=NC2=C(N1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKey
RMFWVOLULURGJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dichloropurine
CAS: 5451-40-1
CID: 5324412
Formula: C5H2Cl2N4
MW: 189.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.00
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass187.9656515
Monoisotopic Mass187.9656515
Topological Polar Surface Area54.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
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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Alternative Products

CatalogName
D3532-502,6-Dichloropurine
HY-W005824-012,6-Dichloropurine riboside
D 0642, 6- Dichloropurine riboside
231003-012,6-Dichloropurine 99+% (HPLC)
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TRC-D435785-500MG2,6-Dichloropurine-9-Beta-D-riboside
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TRC-D435820-10MG5,6-Dichloropurine-1-Beta-D-ribofuanosyl-H-benzimidazole
TNU0750-012,6-Dichloropurine -9-beta-D- (2'-deoxy-3',5'-di-O-benzoyl-2'-fluoro) arabinoriboside
MBS58263462,6-Dichloropurine -9-beta-D-(2'-deoxy-3',5'-di-O-benzoyl-2'-fluoro)arabinoriboside

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