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| CAS No.: | 881-03-8 |
|---|---|
| Name: | 2-METHYL-1-NITRONAPHTHALENE |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C11H9NO2 |
| Molecular Weight: | 187.198 |
| Synonyms: | 1-Nitro-2-methylnaphthalene;2-Methyl-1-nitronaphthalene;NSC 7516; |
| EINECS: | 212-917-5 |
| Density: | 1.234 g/cm3 |
| Melting Point: | 79-82 °C(lit.) |
| Boiling Point: | 185-186 °C18 mm Hg(lit.) |
| Flash Point: | 150.4 °C |
| Appearance: | yellow orange powder |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25 |
| PSA: | 45.82000 |
| LogP: | 3.57960 |
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Toxicity Data With Reference
| 1. | mma-sat 50 µg/plate | GDIKAN Gifu Daigaku Igakubu Kiyo. Papers of the Gifu University School of Medicine. 29 (1981),278. |
Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The 2-Methyl-1-nitronaphthalene with cas registry number of 881-03-8 belongs to the categories of Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 212-917-5. It has an IUPAC name which is called 2-methyl-1-nitronaphthalene. Its appearance is yellow to ochre crystalline powder.
Physical properties about this chemical are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 343.33; (6)ACD/BCF (pH 7.4): 343.33; (7)ACD/KOC (pH 5.5): 2273.35; (8)ACD/KOC (pH 7.4): 2273.35; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 55.46 cm3; (14)Molar Volume: 151.6 cm3; (15)Surface Tension: 50.4 dyne/cm; (16)Density: 1.234 g/cm3; (17)Flash Point: 150.4 °C; (18)Enthalpy of Vaporization: 53.98 kJ/mol; (19)Boiling Point: 320.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000594 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
Mutation data reported. When heated to decomposition, it emits toxic vapors of NOx. When you are using it, do not breathe dust. Avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3;
(2)Smiles: c12c(ccc(c1[N+](=O)[O-])C)cccc2