Benzenemethanol,4-chloro-2-nitro- supplier

Name
4-CHLORO-2-NITROBENZYL ALCOHOL
EINECS 245-374-8
CAS No. 22996-18-5
Article Data14
CAS DataBase
Density 1.476 g/cm³
Solubility
Melting Point 90-92 °C(lit.)
Formula C₇H₆ClNO₃
Boiling Point 306.1 °C at 760 mmHg
Molecular Weight 187.583
Flash Point 138.9 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzylalcohol, 4-chloro-2-nitro- (6CI,8CI);(4-Chloro-2-nitrophenyl)methanol;4-Chloro-2-nitrobenzyl alcohol;
PSA 66.05000
LogP 2.26370

Benzenemethanol,4-chloro-2-nitro- Specification

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

Product Name

4-CHLORO-2-NITROBENZYL ALCOHOL

Benzenemethanol,4-chloro-2-nitro- Specification

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