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| CAS No.: | 18063-03-1 |
|---|---|
| Name: | Benzamide,2,6-difluoro- |
| Article Data: | 29 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C7H5F2NO |
| Molecular Weight: | 157.12 |
| Synonyms: | 2,5-DIFLUORO-4-HYDROXYBENZALDEHYDE; 2,6-difluorobenzoic acid amide; 2.6-difluorobenzamide; 2,6-Difluorbenzamid; 2,6-difluoro-benzamid; 2,6-Difluorobenzoylamide; 查看更多英文别名 收起 |
| EINECS: | 241-972-8 |
| Density: | 1.348 g/cm3 |
| Melting Point: | 145-148 °C(lit.) |
| Boiling Point: | 187.7 °C at 760 mmHg |
| Flash Point: | 67.3 °C |
| Solubility: | N/A |
| Appearance: | white powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20 |
| Safety: | 26-37/39-36/37 |
| Transport Information: | N/A |
| PSA: | 43.09000 |
| LogP: | 1.76400 |
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2,6-Difluorobenzamide, with the CAS registry number 18063-03-1, is also named as Benzamide,2,6-difluoro-. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Aryl Fluorinated Building Blocks; Building Blocks; C7; Carbonyl Compounds; Chemical Synthesis; Fluorinated Building Blocks; Organic Building Blocks; Organic Fluorinated Building Blocks; Other Fluorinated Organic Building Blocks. Its EINECS number is 241-972-8. This chemical's molecular formula is C7H5F2NO and molecular weight is 157.12. What's more, its systematic name is 2,6-Difluorobenzamide. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides and light. This product is mainly used as an intermediate to synthetize benzoyl urea pesticide.
Physical properties of 2,6-Difluorobenzamide are: (1)ACD/LogP: 0.281; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.28; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 33.86; (8)ACD/KOC (pH 7.4): 33.86; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.09 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 35.171 cm3; (15)Molar Volume: 116.554 cm3; (16)Polarizability: 13.943×10-24cm3; (17)Surface Tension: 41.57 dyne/cm; (18)Density: 1.348 g/cm3; (19)Flash Point: 67.317 °C; (20)Enthalpy of Vaporization: 42.391 kJ/mol; (21)Boiling Point: 187.697 °C at 760 mmHg; (22)Vapour Pressure: 0.6 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,6-difluorobenzonitrile at the temperature of 70 °C. This reaction will need reagent 85% H2SO4 with the reaction time of 4 hours. The yield is about 90%.
Uses of 2,6-Difluorobenzamide: it can be used to produce N-(4,4'-dimethoxybenzhydryl)-2,6-difluorobenzamide at the temperature of 20 °C. It will need reagent H2SO4 and solvent acetic acid with the reaction time of 18 hours. The yield is about 86%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(F)cccc1F)N
(2)Std. InChI: InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
(3)Std. InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | > 2100mg/m3/4H (2100mg/m3) | National Technical Information Service. Vol. OTS0543293, | |
| rat | LD50 | oral | 3299mg/kg (3299mg/kg) | MUSCULOSKELETAL: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0543293, |
| rat | LD50 | skin | > 5gm/kg (5000mg/kg) | National Technical Information Service. Vol. OTS0543293, |
