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CAS No.: | 163596-75-6 |
---|---|
Name: | 4-BROMO-3-NITRO-BENZALDEHYDE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C7H4BrNO3 |
Molecular Weight: | 230.018 |
Synonyms: | 4-Bromo-3-nitrobenzaldehyde; |
Density: | 1.781 g/cm3 |
Melting Point: | 104-108 °C |
Boiling Point: | 289.312 °C at 760 mmHg |
Flash Point: | 128.771 °C |
Appearance: | Light yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 62.89000 |
LogP: | 2.69300 |
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The 4-Bromo-3-nitro-benzaldehyde, with the CAS registry number 163596-75-6, is also known as Benzaldehyde, 4-bromo-3-nitro-. It belongs to the product categories of Aldehydes; C7; Carbonyl Compounds. This chemical's molecular formula is C7H4BrNO3 and molecular weight is 230.02. What's more, both its IUPAC name and systematic name are the same which is called 4-Bromo-3-nitrobenzaldehyde. It should be kept in a cold and ventilated place.
Physical properties about 4-Bromo-3-nitro-benzaldehyde are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 62.89 Å2; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 47.24 cm3; (9)Molar Volume: 129.1 cm3; (10)Surface Tension: 59.2 dyne/cm; (11)Density: 1.781 g/cm3; (12)Flash Point: 128.8 °C; (13)Enthalpy of Vaporization: 52.86 kJ/mol; (14)Boiling Point: 289.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00222 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(ccc1Br)C=O
(2) InChI: InChI=1S/C7H4BrNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H
(3) InChIKey: SAFSVELFSYQXOV-UHFFFAOYSA-N