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4-CHLORO-7-NITROQUINAZOLINE

CAT: 1266-JH197437Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH197437Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19815-17-9
UN Code
UN 3439
Hazard Statement
C
Stability
Stable. Incompatible with strong oxidizing agents. Combustible.
Molecular Formula
C8H4ClN3O2
Molecular Weight
209.59
Product Name Synonym
QUI041
Physical Properties
Brown solid
Hazardous Class
6.1
Safety Statements
S22-S26-S36/37/39
Density
1.567 g/cm3
Flash Point
183.593oC
RIDADR
UN 3439
Melting Point
122 °C (dioxane)

Chemical Information

4-Chloro-7-nitroquinazoline
CAS Number19815-17-9
PubChem CID830680
IUPAC Name4-chloro-7-nitroquinazoline
Molecular FormulaC8H4ClN3O2
Molecular Weight209.59
XLogP2.3
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity233
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N=CN=C2Cl
InChI
InChI=1S/C8H4ClN3O2/c9-8-6-2-1-5(12(13)14)3-7(6)10-4-11-8/h1-4H
InChIKey
CCCGYXZEVXWXAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-7-nitroquinazoline
CAS: 19815-17-9
CID: 830680
Formula: C8H4ClN3O2
MW: 209.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.59
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass208.9992041
Monoisotopic Mass208.9992041
Topological Polar Surface Area71.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity233
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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