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618-98-4

Basic Information
CAS No.: 618-98-4
Name: ETHYL 3-NITROBENZOATE
Article Data: 92
Molecular Structure:
Molecular Structure of 618-98-4 (ETHYL 3-NITROBENZOATE)
Formula: C9H9NO4
Molecular Weight: 195.175
Synonyms: Benzoicacid, m-nitro-, ethyl ester (6CI,7CI,8CI);3-Nitrobenzoic acid ethyl ester;Ethyl 3-nitrobenzoate;Ethyl m-nitrobenzoate;NSC 32740;NSC 6762;
EINECS: 210-574-6
Density: 1.253 g/cm3
Melting Point: 41 °C
Boiling Point: 298.7 °C at 760 mmHg
Flash Point: 137 °C
Appearance: solid
Safety: 22-24/25
PSA: 72.12000
LogP: 2.29470
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  • Benzoic acid, 3-nitro-,ethyl ester

  • Casno:

    618-98-4

    Benzoic acid, 3-nitro-,ethyl ester

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Manufacturer,strong R&D,professional team Storage:Store in a cool, dry place. Store in a tightly closed container. Package:according to your requirement Application:ZhiShang Chemical is owned by ZhiShang Group, is a professional new-type chemicals en

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  • ETHYL 3-NITROBENZOATE

  • Casno:

    618-98-4

    ETHYL 3-NITROBENZOATE

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    FOB Price:  USD $ 0.0-0.0

    high purity Application:Drug intermediates Materials intermediates and active molecules

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  • Benzoic acid, 3-nitro-,ethyl ester

  • Casno:

    618-98-4

    Benzoic acid, 3-nitro-,ethyl ester

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Description No. of Steps: 2 CAS No. [618-98-4] Mol. Form. C9H9NO4 Mol. Wt. 195

    An ISO 9001-2000 certified company, Siddhi Vinayaka Spechem has been widely recognised as a leading manufacturer of rich quality biochemical reagent and intermediates. We thrive to

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Specification

This chemical is called Benzoic acid, 3-nitro-, ethyl ester, and its CAS registry number is 618-98-4. With the molecular formula of C9H9NO4, its molecular weight is 195.17. Additionally, its product category is Aromatic Esters.

Other characteristics of the Benzoic acid, 3-nitro-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 72.12 Å2; (9)Index of Refraction: 1.544; (10)Molar Refractivity: 49.2 cm3; (11)Molar Volume: 155.6 cm3; (12)Polarizability: 19.5×10-24cm3; (13)Surface Tension: 46.9 dyne/cm; (14)Density: 1.253 g/cm3; (15)Flash Point: 137 °C; (16)Enthalpy of Vaporization: 53.86 kJ/mol; (17)Boiling Point: 298.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00125 mmHg at 25°C.

Production method of this chemical: The Benzoic acid, 3-nitro-, ethyl ester could be obtained by the reactants of 3-nitro-benzoic acid and ethanol. This reaction needs the reagent of hydrogen chloride.

When you are using this chemical, please be cautious about it as the following: Don't breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: O=[N+]([O-])c1cc(ccc1)C(=O)OCC
2.InChI: InChI=1/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
3.InChIKey: MKBIJCPQTPFQKQ-UHFFFAOYAR