1-Bromo-2-methoxy-3-nitro-benzene supplier

Name
1-Bromo-2-methoxy-3-nitro-benzene
EINECS
CAS No. 31872-76-1
Article Data4
CAS DataBase
Density 1.64 g/cm³
Solubility
Melting Point 39-40℃
Formula C₇H₆BrNO₃
Boiling Point 296.418 °C at 760 mmHg
Molecular Weight 232.0314
Flash Point 133.069 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene, 1-bromo-2-methoxy-3-nitro-;
PSA 67.94000
LogP 2.28410

1-Bromo-2-methoxy-3-nitro-benzene Specification

The 1-Bromo-2-methoxy-3-nitro-benzene, with the CAS registry number 31872-76-1, is also known as Benzene, 1-bromo-2-methoxy-3-nitro-. This chemical's molecular formula is C₇H₆BrNO₃ and molecular weight is 232.0314. What's more, its systematic name is called 1-Bromo-2-methoxy-3-nitrobenzene.

Physical properties about 1-Bromo-2-methoxy-3-nitro-benzene are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 333; (8)ACD/KOC (pH 7.4): 333; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 47.167 cm³; (15)Molar Volume: 141.462 cm³; (16)Surface Tension: 46.761 dyne/cm; (17)Density: 1.64 g/cm³; (18)Flash Point: 133.069 °C; (19)Enthalpy of Vaporization: 51.473 kJ/mol; (20)Boiling Point: 296.418 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1c(cccc1Br)N(=O)=O
(2) InChI: InChI=1/C7H6BrNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3
(3) InChIKey: YAYBLVOBUIXMQY-UHFFFAOYAE

Product Name

1-Bromo-2-methoxy-3-nitro-benzene

1-Bromo-2-methoxy-3-nitro-benzene Specification

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