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| CAS No.: | 7149-69-1 |
|---|---|
| Name: | 1,3-dichloro-2-methyl-5-nitrobenzene |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C7H5Cl2NO2 |
| Molecular Weight: | 206.028 |
| Synonyms: | Toluene,2,6-dichloro-4-nitro- (8CI);1,3-Dichloro-2-methyl-5-nitrobenzene;2,6-Dichloro-4-nitrotoluene;NSC 72321; |
| Density: | 1.456 g/cm3 |
| Melting Point: | 62-65ºC |
| Boiling Point: | 279.6 °C at 760 mmHg |
| Flash Point: | 122.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 45.82000 |
| LogP: | 3.73320 |
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Specification
This chemical is called 1,3-dichloro-2-methyl-5-nitrobenzene, and its systematic name is 1,3-dichloro-2-methyl-5-nitrobenzene. With the molecular formula of C7H5Cl2NO2, its molecular weight is . The CAS registry number of this chemical is 206.03. Additionally, its product categories are Phenyls & Phenyl-Het; Halogen Toluene; Phenyls & Phenyl-Het.
Other characteristics of the 1,3-dichloro-2-methyl-5-nitrobenzene can be summarised as followings: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 47.41 cm3; (9)Molar Volume: 141.4 cm3; (10)Polarizability: 18.79×10-24cm3; (11)Surface Tension: 47.9 dyne/cm; (12)Density: 1.456 g/cm3; (13)Flash Point: 122.9 °C; (14)Enthalpy of Vaporization: 49.75 kJ/mol; (15)Boiling Point: 279.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00674 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(cc(Cl)c1C)[N+]([O-])=O
2.InChI: InChI=1/C7H5Cl2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
3.InChIKey: RUVCGWLHTVGNGI-UHFFFAOYAG