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40130-97-0

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Basic Information
CAS No.: 40130-97-0
Name: 2-chloro-5-methyl-4-nitrophenol
Article Data: 10
Molecular Structure:
Molecular Structure of 40130-97-0 (2-chloro-5-methyl-4-nitrophenol)
Formula: C7H6ClNO3
Molecular Weight: 187.583
Synonyms: 2-Chloro-5-methyl-4-nitrophenol;6-Chloro-4-nitro-m-cresol;
EINECS: 254-802-2
Density: 1.466 g/cm3
Melting Point: 143-144 °C(Solv: benzene (71-43-2))
Boiling Point: 301.8 °C at 760 mmHg
Flash Point: 136.3 °C
PSA: 66.05000
LogP: 2.78540
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Specification

The Phenol,2-chloro-5-methyl-4-nitro-, with the CAS registry number 40130-97-0, is also known as 6-Chloro-4-nitro-m-cresol. This chemical's molecular formula is C7H6ClNO3 and molecular weight is 187.58. What's more, its systematic name is 2-Chloro-5-methyl-4-nitrophenol and its EINECS number is 254-802-2.

Physical properties of Phenol,2-chloro-5-methyl-4-nitro- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 39.5; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 421.21; (8)ACD/KOC (pH 7.4): 13.96; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 44.39 cm3; (15)Molar Volume: 127.9 cm3; (16)Polarizability: 17.6×10-24 cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.466 g/cm3; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 56.37 kJ/mol; (21)Boiling Point: 301.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000575 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-chloro-5-methyl-phenol. This reaction will need reagents NaNO2 and HNO3 and the yield is about 89%.

Phenol,2-chloro-5-methyl-4-nitro- can be prepared by 2-chloro-5-methyl-phenol

Uses of Phenol,2-chloro-5-methyl-4-nitro-: it can be used to produce 2-chloro-5-methyl-4-nitro-anisole. It will need reagent K2CO3 and solvent ethanol. The yield is about 80%.

Phenol,2-chloro-5-methyl-4-nitro- can be used to produce 2-chloro-5-methyl-4-nitro-anisole

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])Cl)O
(2)InChI: InChI=1S/C7H6ClNO3/c1-4-2-7(10)5(8)3-6(4)9(11)12/h2-3,10H,1H3
(3)InChIKey: VCVRNVYZNFWSOU-UHFFFAOYSA-N