CAS No.4958-56-9,2-METHYLAMINO-5-NITROBENZOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4958-56-9
Name:	2-METHYLAMINO-5-NITROBENZOPHENONE
Article Data:	9

Formula:	C₁₄H₁₂N₂O₃
Molecular Weight:	256.261
Synonyms:	Benzophenone,2-(methylamino)-5-nitro- (7CI,8CI);2-(Methylamino)-5-nitrobenzophenone;
EINECS:	225-601-7
Density:	1.288 g/cm³
Boiling Point:	471 °C at 760 mmHg
Flash Point:	238.7 °C
PSA:	74.92000
LogP:	3.46370

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Specification

The CAS register number of Methanone,[2-(methylamino)-5-nitrophenyl]phenyl- is 4958-56-9. The systematic name about this chemical is [2-(methylamino)-5-nitrophenyl](phenyl)methanone. The molecular formula about this chemical is C₁₄H₁₂N₂O₃ and the molecular weight is 256.25668.

Physical properties about Methanone,[2-(methylamino)-5-nitrophenyl]phenyl- are: (1)ACD/LogP: 4.22; (2)ACD/LogD (pH 5.5): 4.22; (3)ACD/LogD (pH 7.4): 4.22; (4)ACD/BCF (pH 5.5): 951.71; (5)ACD/BCF (pH 7.4): 951.71; (6)ACD/KOC (pH 5.5): 4716.42; (7)ACD/KOC (pH 7.4): 4716.42; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.13 Å²; (12)Index of Refraction: 1.646; (13)Molar Refractivity: 72.2 cm³; (14)Molar Volume: 198.8 cm³; (15)Polarizability: 28.62x10^-24cm³; (16)Surface Tension: 54.9 dyne/cm; (17)Density: 1.288 g/cm³; (18)Flash Point: 238.7 °C; (19)Enthalpy of Vaporization: 73.37 kJ/mol; (20)Boiling Point: 471 °C at 760 mmHg; (21)Vapour Pressure: 4.82E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(NC)c(C(=O)c1ccccc1)c2
(2)InChI: InChI=1/C14H12N2O3/c1-15-13-8-7-11(16(18)19)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,15H,1H3
(3)InChIKey: KIWZKBUUWJTGPP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H12N2O3/c1-15-13-8-7-11(16(18)19)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,15H,1H3
(5)Std. InChIKey: KIWZKBUUWJTGPP-UHFFFAOYSA-N