CAS No.80866-80-4,2-CHLORO-5-NITROBENZYL ALCOHOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	80866-80-4
Name:	2-CHLORO-5-NITROBENZYL ALCOHOL
Article Data:	23

Formula:	C₇H₆ClNO₃
Molecular Weight:	187.583
Synonyms:	Benzylalcohol, 2-chloro-5-nitro- (6CI);(2-Chloro-5-nitrophenyl)methanol;2-Chloro-5-nitrobenzenemethanol;2-Chloro-5-nitrobenzyl alcohol;
EINECS:	279-584-6
Density:	1.476 g/cm³
Melting Point:	75-79 °C
Boiling Point:	344.1 °C at 760 mmHg
Flash Point:	161.9 °C
Appearance:	beige powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-36-26
PSA:	66.05000
LogP:	2.26370

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Specification

The Benzenemethanol,2-chloro-5-nitro-, with the CAS registry number 80866-80-4, is also known as 2-Chloro-5-nitrobenzenemethanol. It belongs to the product categories of Benzhydrols; Benzyl & Special Alcohols; Alcohols; C7 to C8; Oxygen Compounds. Its EINECS registry number is 279-584-6. This chemical's molecular formula is C₇H₆ClNO₃ and molecular weight is 187.58. What's more, both its systematic name and IUPAC name are the same which is called (2-Chloro-5-nitrophenyl)methanol. It should be sealed for preservation and put in a cool, dry place.

Physical properties about Benzenemethanol,2-chloro-5-nitro- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.02; (6)ACD/BCF (pH 7.4): 7.02; (7)ACD/KOC (pH 5.5): 140.35; (8)ACD/KOC (pH 7.4): 140.35; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 44.14 cm³; (15)Molar Volume: 127 cm³; (16)Surface Tension: 59 dyne/cm; (17)Density: 1.476 g/cm³; (18)Flash Point: 161.9 °C; (19)Enthalpy of Vaporization: 62.06 kJ/mol; (20)Boiling Point: 344.1 °C at 760 mmHg; (21)Vapour Pressure: 2.56E-05 mmHg at 25 °C; (22)Melting point: 75-79 °C.

Uses of Benzenemethanol,2-chloro-5-nitro-: it is used to produce other chemicals. For example, it is used to produce 5-Amino-2-chlorbenzylalkohol.

The reaction occurs with reagent Fe and HCl (conc) and solvent Ethanol heating for 3 hours. The yield is 83%.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And if in case of contact with eyes, you should rise immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1CO)[N+]([O-])=O
(2) InChI: InChI=1/C7H6ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2
(3) InChIKey: NNLQYDLTFRXAKD-UHFFFAOYAV