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| CAS No.: | 6940-53-0 |
|---|---|
| Name: | 1-Chloro-2,5-dimethoxy-4-nitrobenzene |
| Molecular Structure: | |
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| Formula: | C8H8ClNO4 |
| Molecular Weight: | 217.609 |
| Synonyms: | 1-Chloro-2,5-bis(methyloxy)-4-nitrobenzene;1-Chloro-2,5-dimethoxy-4-nitrobenzene;4-Chloro-2,5-dimethoxynitrobenzene;NSC60143; |
| EINECS: | 230-086-7 |
| Density: | 1.349 g/cm3 |
| Melting Point: | 141 °C |
| Boiling Point: | 345.8 °C at 760 mmHg |
| Flash Point: | 162.9 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 64.28000 |
| LogP: | 2.78860 |
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Specification
The 4-Chloro-2,5-dimethoxynitrobenzene, with the CAS registry number 6940-53-0, is also known as Benzene, 1-chloro-2,5-dimethoxy-4-nitro-. It belongs to the product categories of Intermediates of Dyes and Pigments. Its EINECS registry number is 230-086-7. This chemical's molecular formula is C8H8ClNO4 and molecular weight is 217.61. What's more, both its IUPAC name and systematic name are the same which is called 1-Chloro-2,5-dimethoxy-4-nitrobenzene.
Physical properties about this chemical are: (1) ACD/LogP: 2.83; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.83; (4) ACD/LogD (pH 7.4): 2.83; (5) ACD/BCF (pH 5.5): 83.7; (6) ACD/BCF (pH 7.4): 83.7; (7) ACD/KOC (pH 5.5): 827.73; (8) ACD/KOC (pH 7.4): 827.73; (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) Surface Tension: 42.6 dyne/cm; (17) Density: 1.349 g/cm3; (18) Flash Point: 162.9 °C; (19) Enthalpy of Vaporization: 56.66 kJ/mol; (20) Boiling Point: 345.8 °C at 760 mmHg; (21) Vapour Pressure: 0.00012 mmHg at 25 °C; (22) Melting Point: 141 °C.
Preparation of 4-Chloro-2,5-dimethoxynitrobenzene: this chemical is prepared by reaction of 2,5-Dimethoxy-4-nitro-aniline.
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This reaction needs reagent HCl, CuCl at temperature of 80 °C and other condition of diazotization.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact 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: Clc1cc(OC)c(cc1OC)[N+]([O-])=O
(2) InChI: InChI=1/C8H8ClNO4/c1-13-7-4-6(10(11)12)8(14-2)3-5(7)9/h3-4H,1-2H3
(3) InChIKey: ORLPGMKKCAEWOW-UHFFFAOYAY