CAS No.16618-67-0,3-BROMO-5-NITROANISOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16618-67-0
Name:	3-BROMO-5-NITROANISOLE
Article Data:	10

Formula:	C₇H₆BrNO₃
Molecular Weight:	232.034
Synonyms:	Anisole,3-bromo-5-nitro- (6CI,8CI);1-Bromo-3-methoxy-5-nitrobenzene;3-Bromo-5-methoxynitrobenzene;3-Bromo-5-nitroanisole;3-Methoxy-5-nitrophenylbromide;
Density:	1.64 g/cm³
Melting Point:	86.0 to 90.0 °C
Boiling Point:	295.303 °C at 760 mmHg
Flash Point:	132.395 °C
PSA:	55.05000
LogP:	2.88910

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Specification

The 1-Bromo-3-methoxy-5-nitrobenzene, with the CAS registry number 16618-67-0, is also called 3-Bromo-5-nitrophenyl methyl ether. It belongs to the product categories of Naphthyridine and Quinoline. And the molecular formula of the chemical is C₇H₆BrNO₃.

The characteristics of 1-Bromo-3-methoxy-5-nitrobenzene are as followings: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.05 Å²; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 47.167 cm³; (9)Molar Volume: 141.462 cm³; (10)Polarizability: 18.698×10^-24cm³; (11)Surface Tension: 46.761 dyne/cm; (12)Density: 1.64 g/cm³; (13)Flash Point: 132.395 °C; (14)Enthalpy of Vaporization: 51.358 kJ/mol; (15)Boiling Point: 295.303 °C at 760 mmHg; (16)Vapour Pressure: 0.003 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1cc(cc(Br)c1)[N+]([O-])=O
(2)InChI: InChI=1/C7H6BrNO3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3
(3)InChIKey: MEQKSFQEPDRNEQ-UHFFFAOYAK