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CAS No.: | 3179-08-6 |
---|---|
Name: | 4-HYDROXY-B-NITROSTYRENE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H7NO3 |
Molecular Weight: | 165.148 |
Synonyms: | Phenol,p-(2-nitrovinyl)- (6CI,7CI,8CI);4-(2-Nitroethenyl)phenol;4-(2-Nitrovinyl)phenol;4-Hydroxy-b-nitrostyrene;4-Hydroxy-w-nitrostyrene;NSC 30299;NSC 81594;p-Hydroxy-b-nitrostyrene; |
Density: | 1.32 g/cm3 |
Melting Point: | 167-171 °C(lit.) |
Boiling Point: | 318.3 °C at 760 mmHg |
Flash Point: | 144.2 °C |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22 |
PSA: | 66.05000 |
LogP: | 2.16280 |
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The Phenol,4-(2-nitroethenyl)-, with the CAS registry number 3179-08-6, is also known as 4-(2-(Hydroxy(oxido)amino)vinyl)phenol. This chemical's molecular formula is C8H7NO3 and molecular weight is 165.14608. Its IUPAC name is called 4-[(E)-2-nitroethenyl]phenol.
Physical properties of Phenol,4-(2-nitroethenyl)-: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.52; (4)ACD/BCF (pH 5.5): 9.8; (5)ACD/BCF (pH 7.4): 7.98; (6)ACD/KOC (pH 5.5): 178.11; (7)ACD/KOC (pH 7.4): 145.11; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.646; (12)Molar Refractivity: 45.41 cm3; (13)Molar Volume: 125.1 cm3; (14)Surface Tension: 57.1 dyne/cm; (15)Density: 1.32 g/cm3; (16)Flash Point: 144.2 °C; (17)Enthalpy of Vaporization: 58.21 kJ/mol; (18)Boiling Point: 318.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000196 mmHg at 25°C.
Preparation of Phenol,4-(2-nitroethenyl)-: this chemical can be prepared by nitromethane and 4-hydroxy-benzaldehyde. This reaction will need reagents K2CO3 and Al2O3. The reaction time is 5 min. The yield is about 91%.
Uses of Phenol,4-(2-nitroethenyl)-: it can be used to produce p-hydroxynitroethylbenzene. This reaction will need reagent sodium borohydride and solvent ethanol.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. In addition, it may cause damage to health. What's more, this chemical is harmful if swallowed.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C=C[N+](=O)[O-])O
(2)Isomeric SMILES: C1=CC(=CC=C1/C=C/[N+](=O)[O-])O
(3)InChI: InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
(4)InChIKey: CTJKRKMPTRJAIT-AATRIKPKSA-N