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18355-75-4

Basic Information
CAS No.: 18355-75-4
Name: 2,3-DIFLUOROBENZOIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 18355-75-4 (2,3-DIFLUOROBENZOIC ACID)
Formula: C7H5F2NO
Molecular Weight: 157.12
Synonyms: RARECHEM AL BO 0251;TIMTEC-BB SBB006679;CHEMPACIFIC 39931;BUTTPARK 45\01-40;LABOTEST-BB LT00453855;2,3-DIFLUOROBENZAMIDE;2,3-Difluorobenzamide 97%;2,3-Difluorobenzamide97%
Density: 1.348 g/cm3
Melting Point: 163-165 °C(lit.)
Boiling Point: 197 °C at 760 mmHg
Flash Point: 73 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39-36/37
PSA: 43.09000
LogP: 1.76400
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Specification

This chemical is called Benzamide, 2,3-difluoro-, and its systematic name is 2,3-difluorobenzamide. With the molecular formula of C7H5F2NO, its molecular weight is 158.10. The CAS registry number of this chemical is 18355-75-4. Additionally, its product categories are Anilines, Amides & Amines; Fluorine Compounds; Organic Building Blocks.

Other characteristics of the Benzamide, 2,3-difluoro- can be summarised as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.72; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 2.07; (6)ACD/BCF (pH 7.4): 2.07; (7)ACD/KOC (pH 5.5): 58.67; (8)ACD/KOC (pH 7.4): 58.67; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 35.17 cm3; (15)Molar Volume: 116.5 cm3; (16)Polarizability: 13.94×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 73 °C; (20)Enthalpy of Vaporization: 43.32 kJ/mol; (21)Boiling Point: 197 °C at 760 mmHg; (22)Vapour Pressure: 0.387 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1c(C(=O)N)cccc1F
2.InChI: InChI=1/C7H5F2NO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)
3.InChIKey: DDAINDMVKSETGF-UHFFFAOYAC