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550363-85-4

Basic Information
CAS No.: 550363-85-4
Name: 2-Fluoro-5-formylbenzoic acid 95
Article Data: 5
Molecular Structure:
Molecular Structure of 550363-85-4 (2-Fluoro-5-formylbenzoic acid 95)
Formula: C8H5FO3
Molecular Weight: 168.124
Synonyms: 2-FLUORO-5-FORMYLBENZOIC ACID 95;2-Fluoro-5-formylbenzoic acid 95%;3-Carboxy-4-fluorobenzaldehyde
Density: 1.427 g/cm3
Melting Point: 174.5-178.5 °C
Boiling Point: 330.902 °C at 760 mmHg
Flash Point: 153.924 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 54.37000
LogP: 1.33640
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  • 2-Fluoro-5-formylbenzoic acid

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  • 2-Fluoro-5-formylbenzoic acid 95

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    2-Fluoro-5-formylbenzoic acid 95

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  • 550363-85-4

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    550363-85-4

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  • 2-Fluoro-5-formylbenzoic acid 95

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    550363-85-4

    2-Fluoro-5-formylbenzoic acid 95

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  • 2-Fluoro-5-forMylbenzoic acid

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    550363-85-4

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Specification

The 2-Fluoro-5-formylbenzoic acid 95, with the CAS registry number 550363-85-4, has the systematic name and IUPAC name of 2-fluoro-5-formyl-benzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H5FO3.

The characteristics of 2-Fluoro-5-formylbenzoic acid 95 are as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.37 Å2; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 39.93 cm3; (13)Molar Volume: 117.839 cm3; (14)Polarizability: 15.829×10-24cm3; (15)Surface Tension: 55.466 dyne/cm; (16)Density: 1.427 g/cm3; (17)Flash Point: 153.924 °C; (18)Enthalpy of Vaporization: 60.539 kJ/mol; (19)Boiling Point: 330.902 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(c(cc1C=O)C(=O)O)F
(2)InChI: InChI=1/C8H5FO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-4H,(H,11,12)
(3)InChIKey: XZUFXXPSLGVLFC-UHFFFAOYAD