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5-Bromoanthranilonitrile

CAT: 0804-HY-W014967-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W014967-01Size:10 g
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Description
5-Bromoanthranilonitrile is an organic compound that reacts with sodium hydride in dimethyl sulfoxide to produce a 4-amino-2- (2-aminophenyl) quinazoline analogue[1].
CAS Number
39263-32-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-bromoanthranilonitrile.html
Purity
99.17
Smiles
BrC1=CC=C(N)C(C#N)=C1
Molecular Formula
C7H5BrN2
Molecular Weight
197.03
Precautions
H302, H315, H319, H335
References & Citations
[1]Gescher A, et al. Triazines and related products. Part 19. 4-Amino-2-[2- (piperidin-1-ylazo) phenyl] quinazoline and its analogues[J]. Journal of the Chemical Society, Perkin Transactions 1, 1977 (2) : 107-114.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Amino-5-bromobenzonitrile
CAS Number39263-32-6
PubChem CID429740
IUPAC Name2-amino-5-bromobenzonitrile
Molecular FormulaC7H5BrN2
Molecular Weight197.03
XLogP2.2
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C=C1Br)C#N)N
InChI
InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
InChIKey
OATYCBHROMXWJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-5-bromobenzonitrile
CAS: 39263-32-6
CID: 429740
Formula: C7H5BrN2
MW: 197.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.03
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass195.96361
Monoisotopic Mass195.96361
Topological Polar Surface Area49.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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