D73103
2,6-Dichloropurine
97%
Synonym(s):
2,6-Dichloro-1H-purine, 2,6-Dichloro-7H-purine, 2,6-Dichloro-9H-purin, 2,6-Dichloro-9H-purine
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About This Item
Empirical Formula (Hill Notation):
C5H2Cl2N4
CAS Number:
Molecular Weight:
189.00
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
226-681-6
Beilstein/REAXYS Number:
9354
MDL number:
Assay:
97%
Form:
powder
Quality Level
assay
97%
form
powder
mp
185-195 °C (dec.) (lit.)
SMILES string
Clc1nc(Cl)c2nc[nH]c2n1
InChI
1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChI key
RMFWVOLULURGJI-UHFFFAOYSA-N
Application
Suzuki-Miyaura cross-coupling between halopurines and arylboronic acids in water-acetonitrile.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Synthesis, 3515-3515 (2006)
M Eugenia García-Rubiño et al.
Acta crystallographica. Section C, Crystal structure communications, 67(Pt 12), o484-o486 (2011-12-06)
Two polymorphs of 2,6-dichloropurine, C(5)H(2)Cl(2)N(4), have been crystallized and identified as the 9H- and 7H-tautomers. Despite differences in the space group and number of symmetry-independent molecules, they exhibit similar hydrogen-bonding motifs. Both crystal structures are stabilized by intermolecular N-H···N interactions
Occupational contact sensitization to 2,6-dichloropurine.
R J Rycroft
Contact dermatitis, 7(6), 349-350 (1981-11-01)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| D73103-5G | 04061832981406 |
| D73103-10G | 04061832981390 |
| D73103-1G | 04061826220160 |