CAS No.27684-84-0,PHENOL, 5-BROMO-2-NITRO- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27684-84-0
Name:	PHENOL, 5-BROMO-2-NITRO-
Article Data:	26

Formula:	C₆H₄BrNO₃
Molecular Weight:	218.007
Synonyms:	2-Nitro-5-bromophenol;3-Bromo-6-nitrophenol;
Density:	1.881 g/cm³
Melting Point:	40-42 °C
Boiling Point:	264.6 °C at 760 mmHg
Flash Point:	113.8 °C
Appearance:	Yellow solid
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36/37-60
PSA:	66.05000
LogP:	2.58610

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Specification

The Phenol,5-bromo-2-nitro-, with the CAS registry number 27684-84-0, is also known as 3-Bromo-6-nitrophenol. It belongs to the product categories of Aromatics Compounds; Aromatics. This chemical's molecular formula is C₆H₄BrNO₃ and molecular weight is 218.005. What's more, its IUPAC name is 5-bromo-2-nitrophenol. It is stable at room temperature.

Physical properties of Phenol,5-bromo-2-nitro- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 51.49; (6)ACD/BCF (pH 7.4): 3.04; (7)ACD/KOC (pH 5.5): 547.41; (8)ACD/KOC (pH 7.4): 32.29; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 42.37 cm³; (15)Molar Volume: 115.8 cm³; (16)Surface Tension: 64.3 dyne/cm; (17)Density: 1.881 g/cm³; (18)Flash Point: 113.8 °C; (19)Enthalpy of Vaporization: 52.27 kJ/mol; (20)Boiling Point: 264.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00588 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Br)O)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H4BrNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
(3)InChIKey: DTWHNSNSUBKGTC-UHFFFAOYSA-N