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72816-87-6

72816-87-6 Structure

72816-87-6 Structure
IdentificationBack Directory
[Name]

6-Amino-1-benzyl-5-bromouracil
[CAS]

72816-87-6
[Synonyms]

6-AMino-5-broMo-1-(phenylMethyl)-2,4(1H,3H)-pyriMidinedione
2,4(1H,3H)-PyriMidinedione, 6-aMino-5-broMo-1-(phenylMethyl)-
[Molecular Formula]

C11H10BrN3O2
[MDL Number]

MFCD00205032
[MOL File]

72816-87-6.mol
[Molecular Weight]

296.13
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

220-222°C
[density ]

1.681±0.06 g/cm3(Predicted)
[storage temp. ]

-20?C Freezer
[solubility ]

Aqueous Base (Slightly), DMF (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

7.53±0.40(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C11H10BrN3O2/c12-8-9(13)15(11(17)14-10(8)16)6-7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,16,17)
[InChIKey]

MKHMQYHCJPMREC-UHFFFAOYSA-N
[SMILES]

C1(=O)N(CC2=CC=CC=C2)C(N)=C(Br)C(=O)N1
Hazard InformationBack Directory
[Chemical Properties]

White Solid
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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