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  • Methanone,(2-aminophenyl)phenyl
Name:Methanone,(2-aminophenyl)phenyl
CAS No:2835-77-0

PRODUCT DESCRIPTION

【Name】
Methanone,(2-aminophenyl)phenyl-
【CAS Registry number】
2835-77-0
【Synonyms】
Benzophenone,2-amino- (6CI,7CI,8CI)
(2-Aminophenyl)phenylmethanone
2-Benzoylaniline
2-Benzoylbenzenamine
NSC 9422
o-Aminobenzophenone
o-Aminophenyl phenyl ketone
o-Benzoylaniline
【EINECS(EC#)】
220-613-9
【Molecular Formula】
C13H11NO (Products with the same molecular formula)
【Molecular Weight】
197.24
【Inchi】
InChI=1/C13H11NO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H,14H2
【InChIKey】
MAOBFOXLCJIFLV-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N
【MOL File】
2835-77-0.mol

Chemical and Physical Properties

【Appearance】
Gold crystalline powder.
【Density】
1.161g/cm3
【Melting Point】
105-108℃
【Boiling Point】
280℃
【Vapour】
4.31E-06mmHg at 25°C
【Refractive Index】
1.628
【Flash Point】
240℃
【Water】
practically insoluble
【Solubilities】
practically insoluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29223900
【Storage temp】
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:197.23254 [g/mol]
Molecular Formula:C13H11NO
XLogP3:3.2
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:5
Exact Mass:197.084064
MonoIsotopic Mass:197.084064
Topological Polar Surface Area:43.1
Heavy Atom Count:15
Formal Charge:0
Complexity:221
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R36/37/38
【Safety Statements 】
S26;S37/39
【Safety】

Hazard Codes of?Methanone,(2-aminophenyl)phenyl- (CAS NO.2835-77-0):?IrritantXi,Xn 
Risk Statements: 36/37/38-22?
R36/37/38: Irritating to eyes, respiratory system and skin.?
R22: Harmful if swallowed. 
Safety Statements: 26-36-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.?
S37/39: Wear suitable gloves and eye/face protection. 
WGK Germany: 3
HS Code: 29223900

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