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2036-13-7

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2036-13-7 Structure

2036-13-7 Structure
IdentificationBack Directory
[Name]

6-CYANOPURINE
[CAS]

2036-13-7
[Synonyms]

6-CYANOPURINE
6-Cyanoadenine
6-Cyanopurine 97%
6-PURINECARBONITRILE
purine-6-carbonitrile
6-CYANOPURINE USP/EP/BP
3H-purine-6-carbonitrile
9H-Purine-6-carbonitrile
7H-purine-6-carbonitrile
1H-purine-6-carbonitrile
1H-Purine-6-carbonitrile (9CI)
[EINECS(EC#)]

218-005-3
[Molecular Formula]

C6H3N5
[MDL Number]

MFCD00005569
[MOL File]

2036-13-7.mol
[Molecular Weight]

145.12
Chemical PropertiesBack Directory
[Melting point ]

186-189 °C (lit.)
[Boiling point ]

248.4±50.0 °C(Predicted)
[density ]

1.65±0.1 g/cm3(Predicted)
[form ]

powder
[pka]

6.93±0.20(Predicted)
[InChI]

1S/C6H3N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,(H,8,9,10,11)
[InChIKey]

NHYQQYMSESLQDX-UHFFFAOYSA-N
[SMILES]

N#Cc1ncnc2nc[nH]c12
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22-36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[RTECS ]

UO7518000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
Spectrum DetailBack Directory
[Spectrum Detail]

6-CYANOPURINE(2036-13-7)1HNMR
6-CYANOPURINE(2036-13-7)IR
6-CYANOPURINE(2036-13-7)Raman
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