CAS No.14401-03-7,2,6-Dibromo-3-methyl-4-nitrophenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14401-03-7
Name:	2,6-Dibromo-3-methyl-4-nitrophenol
Article Data:	6

Formula:	C₇H₅Br₂NO₃
Molecular Weight:	310.93
Synonyms:	m-Cresol,2,6-dibromo-4-nitro- (8CI);2,6-Dibromo-3-methyl-4-nitrophenol;
Density:	2.095 g/cm³
Melting Point:	134℃
Boiling Point:	312.3 °C at 760 mmHg
Flash Point:	142.7 °C
Appearance:	white like or light brown crystalline powder
PSA:	66.05000
LogP:	3.65700

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Specification

The 2,6-Dibromo-3-methyl-4-nitrophenol, with the CAS registry number 14401-03-7, is also known as m-Cresol,2,6-dibromo-4-nitro- (8CI). This chemical's molecular formula is C₇H₅Br₂NO₃ and molecular weight is 310.93. What's more, its systematic name is 2,6-Dibromo-3-methyl-4-nitrophenol.

Physical properties of 2,6-Dibromo-3-methyl-4-nitrophenol are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 7.95; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.52; (8)ACD/KOC (pH 7.4): 2.16; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 54.88 cm³; (15)Molar Volume: 148.3 cm³; (16)Polarizability: 21.75×10^-24cm³; (17)Surface Tension: 62 dyne/cm; (18)Density: 2.095 g/cm³; (19)Flash Point: 142.7 °C; (20)Enthalpy of Vaporization: 57.53 kJ/mol; (21)Boiling Point: 312.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000291 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(cc(Br)c1O)[N+]([O-])=O)C
(2)InChI: InChI=1/C7H5Br2NO3/c1-3-5(10(12)13)2-4(8)7(11)6(3)9/h2,11H,1H3
(3)InChIKey: IPHPHFJJKHXWHH-UHFFFAOYSA-N