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Benzamide, 3-fluoro-

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Name

Benzamide, 3-fluoro-

EINECS 207-247-5
CAS No. 455-37-8 Density 1.238 g/cm3
PSA 43.09000 LogP 1.62490
Solubility N/A Melting Point 129-132 °C(lit.)
Formula C7H6FNO Boiling Point 238.4 °C at 760 mmHg
Molecular Weight 139.129 Flash Point 98 °C
Transport Information N/A Appearance white fine crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 455-37-8 (3-FLUOROBENZAMIDE) Hazard Symbols IrritantXi
Synonyms

Benzamide,m-fluoro- (6CI,7CI,8CI);3-Carbamoyl-1-fluorobenzene;3-Fluorobenzamide;NSC97485;m-Fluorobenzamide;

Article Data 39

Benzamide, 3-fluoro- Specification

This chemical is called Benzamide, 3-fluoro-, and its systematic name is 3-fluorobenzamide. With the CAS registry number of 455-37-8, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines; Fluorine Compounds; Amides; Carbonyl Compounds; Organic Building Blocks. Additionally, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the Benzamide, 3-fluoro- can be summarised as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.89; (6)ACD/BCF (pH 7.4): 2.89; (7)ACD/KOC (pH 5.5): 74.48; (8)ACD/KOC (pH 7.4): 74.48; (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: 1.538; (14)Molar Refractivity: 35.17 cm3; (15)Molar Volume: 112.3 cm3; (16)Polarizability: 13.94×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 98 °C; (20)Enthalpy of Vaporization: 47.52 kJ/mol; (21)Boiling Point: 238.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0426 mmHg at 25°C.

Uses of this chemical: The N-chloro-3-fluorobenzamide could be obtained by the reactant of Benzamide, 3-fluoro-. This reaction needs the reagent of t-BuOCl, and the solvent of methanol. The yield is 31 %.

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: O=C(c1cc(F)ccc1)N
2.InChI: InChI=1/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
3.InChIKey: YPIGHNIIXYSPKF-UHFFFAOYAR

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