Benzene,1-(2-bromoethoxy)-3-nitro- supplier

Name
1-(2-BROMOETHOXY)-3-NITROBENZENE
EINECS
CAS No. 13831-59-9
Article Data11
CAS DataBase
Density 1.587g/cm³
Solubility
Melting Point 39 °C
Formula C₈H₈BrNO₃
Boiling Point 342.6 °C at 760 mmHg
Molecular Weight 246.06
Flash Point 161 °C
Transport Information
Appearance Yellowish-green or brown low melting solid
Safety 37/39-26
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn； Xi
Synonyms Phenetole, b-bromo-m-nitro- (7CI,8CI);NSC111064;
PSA 55.05000
LogP 2.89170

Benzene,1-(2-bromoethoxy)-3-nitro- Specification

The Benzene,1-(2-bromoethoxy)-3-nitro-, with CAS registry number 13831-59-9, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)NitroCompounds. It has the systematic name of 1-(2-bromoethoxy)-3-nitrobenzene. This chemical is a kind of yellowish-green or brown low melting solid. And the chemical formula of this chemical is C₈H₈BrNO₃.

Physical properties of Benzene,1-(2-bromoethoxy)-3-nitro-: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 55.05 Å²; (7)Index of Refraction: 1.583; (8)Molar Refractivity: 51.84 cm³; (9)Molar Volume: 154.9 cm³; (10)Polarizability: 20.55×10^-24cm³; (11)Surface Tension: 49.6 dyne/cm; (12)Density: 1.587 g/cm³; (13)Flash Point: 161 °C; (14)Enthalpy of Vaporization: 56.32 kJ/mol; (15)Boiling Point: 342.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000147 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(OCCBr)c1
(2)InChI: InChI=1/C8H8BrNO3/c9-4-5-13-8-3-1-2-7(6-8)10(11)12/h1-3,6H,4-5H2
(3)InChIKey: QBUSKXLDUNPEMZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8BrNO3/c9-4-5-13-8-3-1-2-7(6-8)10(11)12/h1-3,6H,4-5H2
(5)Std. InChIKey: QBUSKXLDUNPEMZ-UHFFFAOYSA-N

Product Name

1-(2-BROMOETHOXY)-3-NITROBENZENE

Benzene,1-(2-bromoethoxy)-3-nitro- Specification

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