Naphthalene,1-methyl-7-nitro- supplier

Name
1-Methyl-7-nitronaphthalene
EINECS
CAS No. 116530-07-5
Article Data2
CAS DataBase
Density 1.234 g/cm³
Solubility
Melting Point
Formula C₁₁H₉NO₂
Boiling Point 335.1 °C at 760 mmHg
Molecular Weight 187.198
Flash Point 163.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-7-nitronaphthalene;
PSA 45.82000
LogP 3.57960

Naphthalene,1-methyl-7-nitro- Specification

The Naphthalene,1-methyl-7-nitro-, with the CAS registry number 116530-07-5, is also known as CCRIS 7764. This chemical's molecular formula is C₁₁H₉NO₂ and molecular weight is 187.19466. What's more, both its IUPAC name and systematic name are the same which is called 1-Methyl-7-nitronaphthalene.

Physical properties about Naphthalene,1-methyl-7-nitro- 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)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 55.46 cm³; (15)Molar Volume: 151.6 cm³; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.234 g/cm³; (18)Flash Point: 163.2 °C; (19)Enthalpy of Vaporization: 55.53 kJ/mol; (20)Boiling Point: 335.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000237 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc2c(cc1)cccc2C
(2) InChI: InChI=1/C11H9NO2/c1-8-3-2-4-9-5-6-10(12(13)14)7-11(8)9/h2-7H,1H3
(3) InChIKey: YAXWLSIDOXNUDW-UHFFFAOYAB

Product Name

1-Methyl-7-nitronaphthalene

Naphthalene,1-methyl-7-nitro- Specification

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