Benzene,1-chloro-4,5-dimethoxy-2-nitro- supplier

Name
BENZENE, 1-CHLORO-4,5-DIMETHOXY-2-NITRO-
EINECS
CAS No. 3899-65-8
Article Data10
CAS DataBase
Density 1.349 g/cm³
Solubility
Melting Point
Formula C₈H₈ClNO₄
Boiling Point 336.3 °C at 760 mmHg
Molecular Weight 217.609
Flash Point 157.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Veratrole, 4-chloro-5-nitro- (6CI);2-Chloro-4,5-dimethoxy-1-nitrobenzene;2-Chloro-4,5-dimethoxynitrobenzene;4,5-Dimethoxy-2-nitrochlorobenzene;4-Chloro-1,2-dimethoxy-5-nitrobenzene;
PSA 64.28000
LogP 2.78860

Benzene,1-chloro-4,5-dimethoxy-2-nitro- Specification

The Benzene, 1-chloro-4, 5-dimethoxy-2-nitro-, with the CAS registry number 3899-65-8, is also known as 2-Chloro-4, 5-dimethoxy-1-nitrobenzene. This chemical's molecular formula is C₈H₈ClNO₄ and molecular weight is 217.607. What's more, its systematic name is 1-Chloro-4, 5-dimethoxy-2-nitrobenzene.

Physical properties about Benzene, 1-chloro-4, 5-dimethoxy-2-nitro- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 88.74; (6)ACD/BCF (pH 7.4): 88.74; (7)ACD/KOC (pH 5.5): 863.12; (8)ACD/KOC (pH 7.4): 863.12; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 51.05 cm³; (15)Molar Volume: 161.2 cm³; (16)Polarizability: 20.23×10^-24 cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 157.2 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 336.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000221 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1cc(OC)c(cc1Cl)OC
(2) InChI: InChI=1/C8H8ClNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3
(3) InChIKey: CPADFRBFGBIDQD-UHFFFAOYAC

Product Name

BENZENE, 1-CHLORO-4,5-DIMETHOXY-2-NITRO-

Benzene,1-chloro-4,5-dimethoxy-2-nitro- Specification

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