Benzeneaceticacid, 2-nitro-, methyl ester supplier

Name
METHYL (2-NITRO-PHENYL)-ACETATE
EINECS
CAS No. 30095-98-8
Article Data64
CAS DataBase
Density 1.266 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₄
Boiling Point 283.4 °C at 760 mmHg
Molecular Weight 195.175
Flash Point 126.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (o-nitrophenyl)-, methyl ester (8CI);2-Nitrophenylacetic acid methylester;Methyl 2-nitrophenylacetate;Methyl o-nitrophenylacetate;o-Nitrophenylacetic acid methyl ester;
PSA 72.12000
LogP 1.83350

Benzeneaceticacid, 2-nitro-, methyl ester Specification

The Benzeneaceticacid, 2-nitro-, methyl ester, with the CAS registry number 30095-98-8, has the systematic name of methyl (2-nitrophenyl)acetate. It is also called o-Nitrophenylacetic acid methyl ester. And the molecular formula of this chemical is C₉H₉NO₄.

The physical properties of Benzeneaceticacid, 2-nitro-, methyl ester are as following: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.45; (6)ACD/BCF (pH 7.4): 11.45; (7)ACD/KOC (pH 5.5): 199.35; (8)ACD/KOC (pH 7.4): 199.35; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 48.75 cm³; (15)Molar Volume: 154 cm³; (16)Polarizability: 19.32×10^-24cm³; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.266 g/cm³; (19)Flash Point: 126.5 °C; (20)Enthalpy of Vaporization: 52.24 kJ/mol; (21)Boiling Point: 283.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00316 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)Cc1ccccc1[N+]([O-])=O
(2)InChI: InChI=1/C9H9NO4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3
(3)InChIKey: SWMFAAPTSMVULA-UHFFFAOYAQ

Product Name

METHYL (2-NITRO-PHENYL)-ACETATE

Benzeneaceticacid, 2-nitro-, methyl ester Specification

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