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2-phenylbenzotriazole

CAT: 1266-JH192347Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH192347Size:1 Each
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CAS Number
1916-72-9
UN Code
UN 0473
Hazard Statement
Xn
Stability
Stable if stored as directed.
Molecular Formula
C12H9N3
Molecular Weight
195.22
Product Name Synonym
2-Phenyl-2H-1,2,3-benzotriazole
Physical Properties
White to light yellow crystal powder
Hazardous Class
1.1A
Safety Statements
S26
Density
1.21g/cm3
Flash Point
171.1oC
RIDADR
UN 0473
Melting Point
35-40oC

Chemical Information

2H-Benzotriazole, 2-phenyl-

structure in first source

CAS Number1916-72-9
PubChem CID154096
IUPAC Name2-phenylbenzotriazole
Molecular FormulaC12H9N3
Molecular Weight195.22
XLogP3.3
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity199
SMILES
C1=CC=C(C=C1)N2N=C3C=CC=CC3=N2
InChI
InChI=1S/C12H9N3/c1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15/h1-9H
InChIKey
XJRLKUOFBZMRBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-Benzotriazole, 2-phenyl-
CAS: 1916-72-9
CID: 154096
Formula: C12H9N3
MW: 195.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.22
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass195.079647300
Monoisotopic Mass195.079647300
Topological Polar Surface Area30.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity199
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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