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861863

Sigma-Aldrich

2-Chloroadenosine hemihydrate

97%

Synonym(s):

6-Amino-2-chloropurine riboside

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About This Item

Empirical Formula (Hill Notation):
C10H12ClN5O4 · 0.5H2O
CAS Number:
81012-94-4
Molecular Weight:
310.69
EC Number:
205-678-3
MDL number:
MFCD28134629
UNSPSC Code:
12352100
PubChem Substance ID:
24888561
NACRES:
NA.22

Quality Level

100

assay

97%

form

powder

mp

160 °C (dec.) (lit.)

functional group

chloro
ether

SMILES string

O[C@H]1[C@@H](O)[C@H](N(C=N2)C3=C2C(N)=NC(Cl)=N3)O[C@@H]1CO.O[C@H]4[C@@H](O)[C@H](N(C=N5)C6=C5C(N)=NC(Cl)=N6)O[C@@H]4CO.O

InChI

1S/2C10H12ClN5O4.H2O/c2*11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9;/h2*2-3,5-6,9,17-19H,1H2,(H2,12,14,15);1H2/t2*3-,5-,6-,9-;/m11./s1

InChI key

WRURCFOLSGPTMO-IZGCVNAISA-N

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
01723BE
11614HY
05918CB
03904KN
02520KX

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