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3-Bromo-5-nitrobenzaldehyde

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Name

3-Bromo-5-nitrobenzaldehyde

EINECS N/A
CAS No. 355134-13-3 Density 1.781 g/cm3
PSA 62.89000 LogP 2.69300
Solubility N/A Melting Point 101-106 °C
Formula C7H4BrNO3 Boiling Point 306.9 °C at 760 mmHg
Molecular Weight 230.018 Flash Point 139.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 22-36/37/38-43
Molecular Structure Molecular Structure of 355134-13-3 (3-BROMO-5-NITROBENZALDEHYDE) Hazard Symbols HarmfulXn
Synonyms

3-BROMO-5-NITROBENZALDEHYDE;3-Fluoro-5-nitrobenzaldehyde;3-BroMo-5-nitrobenzaldehyde, 97+%;3-Bromo-5-formylnitrobenzene

Article Data 7

3-Bromo-5-nitrobenzaldehyde Specification

The Benzaldehyde,3-bromo-5-nitro-, with the CAS registry number 355134-13-3, has the systematic name of 3-bromo-5-nitro-benzaldehyde. It belongs to the following product categories: Nitro CompoundsChemical Synthesis; Aldehydes; C7Organic Building Blocks; Carbonyl Compounds; New Products for Chemical Synthesis; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C7H4BrNO3.

The characteristics of Benzaldehyde,3-bromo-5-nitro- are as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.18; (6)ACD/BCF (pH 7.4): 41.18; (7)ACD/KOC (pH 5.5): 498.21; (8)ACD/KOC (pH 7.4): 498.21; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 47.24 cm3; (15)Molar Volume: 129.1 cm3; (16)Polarizability: 18.72×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.781 g/cm3; (19)Flash Point: 139.4 °C; (20)Enthalpy of Vaporization: 54.74 kJ/mol; (21)Boiling Point: 306.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000752 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and may cause sensitization by skin contact. It is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.     

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(cc(cc1[N+](=O)[O-])Br)C=O
(2)InChI: InChI=1/C7H4BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
(3)InChIKey: OUDCOMBHRXKPIJ-UHFFFAOYAG

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