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5-amino-1-cyclobutyl-pyrazole-4-carbonitrile structure
5-amino-1-cyclobutyl-pyrazole-4-carbonitrile structure

5-amino-1-cyclobutyl-pyrazole-4-carbonitrile

Iupac Name:4-chloro-6-fluoroquinazoline
CAS No.:16499-61-9
Molecular Weight:182.58
1. Names and Identifiers
1.1 Name
5-amino-1-cyclobutyl-pyrazole-4-carbonitrile
1.2 Synonyms

1H-Pyrazole-1-aceticacid,5-amino 1H-Pyrazole-1-aceticacid,5-amino-(9CI) 5-amino-1-carboxymethylpyrazole 5-amino-1-cyclobutyl-1h-pyrazole-4-carbonitrile NXWXJURPEMJOOP-UHFFFAOYSA-N S14-2086

1.3 CAS No.
16499-61-9
1.4 CID
13059457
1.5 Molecular Formula
C9H11NO3 (isomer)
1.6 Inchi
InChI=1S/C8H4ClFN2/c9-8-6-3-5(10)1-2-7(6)11-4-12-8/h1-4H
1.7 InChkey
XIKGISGZFBCGDW-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC2=C(C=C1F)C(=NC=N2)Cl
1.9 Isomers Smiles
C1=CC2=C(C=C1F)C(=NC=N2)Cl
2. 3D Conformer
3. Properties
3.1 Vapour
0.00498mmHg at 25°C
3.2 Refractive Index
1.634
4. Safety and Handling
4.1 Risk Statements
22-37/38-41
4.2 Safety Statements
26-39
4.3 HazardClass
IRRITANT
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

6. Similar Structures Products
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