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(3-Chloro-2-nitrophenyl)methanol

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Name

(3-Chloro-2-nitrophenyl)methanol

EINECS N/A
CAS No. 77158-86-2 Density 1.477 g/cm3
PSA 66.05000 LogP 2.26370
Solubility N/A Melting Point 65-69 °C
Formula C7H6ClNO3 Boiling Point 319.393 °C at 760 mmHg
Molecular Weight 187.583 Flash Point 146.964 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 36/37/38-43
Molecular Structure Molecular Structure of 77158-86-2 (3-CHLORO-2-NITROBENZYL ALCOHOL  97) Hazard Symbols IrritantXi
Synonyms

2-Nitro-3-chlorobenzylalcohol;

Article Data 2

(3-Chloro-2-nitrophenyl)methanol Specification

The Benzenemethanol,3-chloro-2-nitro-, with the CAS registry number 77158-86-2, is also known as 3-Chloro-2-nitrobenzyl alcohol. It belongs to the product categories of Alcohols; C7 to C8; Oxygen Compounds. This chemical's molecular formula is C7H6ClNO3 and molecular weight is 187.58. What's more, its systematic name is called (3-Chloro-2-nitrophenyl)methanol.

Physical properties about Benzenemethanol,3-chloro-2-nitro- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 101; (8)ACD/KOC (pH 7.4): 101; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.05 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 44.145 cm3; (15)Molar Volume: 127.042 cm3; (16)Surface Tension: 59.048 dyne/cm; (17)Density: 1.477 g/cm3; (18)Flash Point: 146.964 °C; (19)Enthalpy of Vaporization: 59.223 kJ/mol; (20)Boiling Point: 319.393 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Benzenemethanol,3-chloro-2-nitro-: this chemical can be prepared by 3-Chloro-2-nitro-benzoic acid. This reaction needs reagent B2H6 and solvent tetrahydrofuran at ambient temperature. The reaction time is 2 hours. The yield is 88 %.

Benzenemethanol,3-chloro-2-nitro- can be prepared by 3-Chloro-2-nitro-benzoic acid.

Uses of Benzenemethanol,3-chloro-2-nitro-: it is used to produce other chemicals. For example, it can react with Dimethylamine to get (3-Dimethylamino-2-nitro-phenyl)-methanol. The reaction occurs with solvents H2O, dimethylformamide at temperature of 120 °C for 4 hours. The yield is 76 %.

Benzenemethanol,3-chloro-2-nitro- can react with Dimethylamine to get (3-Dimethylamino-2-nitro-phenyl)-methanol.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contacting. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. 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-])c1c(cccc1Cl)CO
(2) InChI: InChI=1S/C7H6ClNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-3,10H,4H2
(3) InChIKey: ZSMDJSXEFYWXPD-UHFFFAOYSA-N

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