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CAS No.: | 22996-18-5 |
---|---|
Name: | 4-CHLORO-2-NITROBENZYL ALCOHOL |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H6ClNO3 |
Molecular Weight: | 187.583 |
Synonyms: | Benzylalcohol, 4-chloro-2-nitro- (6CI,8CI);(4-Chloro-2-nitrophenyl)methanol;4-Chloro-2-nitrobenzyl alcohol; |
EINECS: | 245-374-8 |
Density: | 1.476 g/cm3 |
Melting Point: | 90-92 °C(lit.) |
Boiling Point: | 306.1 °C at 760 mmHg |
Flash Point: | 138.9 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 66.05000 |
LogP: | 2.26370 |
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The Benzenemethanol,4-chloro-2-nitro-, with the CAS registry number 22996-18-5, is also known as ZINC02166807. It belongs to the product categories of Alcohol; Alcohols; C7 to C8; Oxygen Compounds. Its EINECS registry number is 245-374-8. This chemical's molecular formula is C7H6ClNO3 and molecular weight is 187.58044. Its IUPAC name is called (4-chloro-2-nitrophenyl)methanol. This chemical is white to light yellow crystal powder.
Physical properties of Benzenemethanol,4-chloro-2-nitro-: (1)ACD/LogP: 1.45; (2)ACD/LogD (pH 5.5): 1.45; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 7.5; (5)ACD/BCF (pH 7.4): 7.5; (6)ACD/KOC (pH 5.5): 147.23; (7)ACD/KOC (pH 7.4): 147.23; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 44.14 cm3; (13)Molar Volume: 127 cm3; (14)Surface Tension: 59 dyne/cm; (15)Density: 1.476 g/cm3; (16)Flash Point: 138.9 °C; (17)Enthalpy of Vaporization: 57.71 kJ/mol; (18)Boiling Point: 306.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000345 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-chloro-2-nitro-benzaldehyde. This reaction will need reagent aqueous formaldehyde, methanol and aqueous NaOH.
Uses of Benzenemethanol,4-chloro-2-nitro-: it can be used to produce alpha,4-dichloro-2-nitrotoluene at ambient temperature. This reaction will need reagent PCl5 and solvent CHCl3 with reaction time of 1 hour. The yield is about 58%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])CO
(2)InChI: InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2
(3)InChIKey: OAHGNOHGHOTZQU-UHFFFAOYSA-N