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| CAS No.: | 610-14-0 |
|---|---|
| Name: | 2-Nitrobenzoyl chloride |
| Article Data: | 123 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4ClNO3 |
| Molecular Weight: | 185.567 |
| Synonyms: | Benzoylchloride, o-nitro- (7CI,8CI);o-Nitrobenzoic acidchloride;o-Nitrobenzoyl chloride;2-Nitrobenzoyl chloride; |
| EINECS: | 210-206-4 |
| Density: | 1.453 g/cm3 |
| Melting Point: | 17-20 °C(lit.) |
| Boiling Point: | 290 °C at 760 mmHg |
| Flash Point: | 129.2 °C |
| Appearance: | clear dark brown liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 5-34 |
| Safety: | 26-36/37/39-45-7/9-38 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 62.89000 |
| LogP: | 2.49700 |
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Specification
The Benzoyl chloride,2-nitro-, with the CAS registry number 610-14-0, is also known as o-Nitrobenzoyl chloride. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 210-206-4. This chemical's molecular formula is C7H4ClNO3 and molecular weight is 185.56. What's more, its systematic name is 2-nitrobenzoyl chloride. Its classification code is Mutation data. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.
Physical properties of Benzoyl chloride,2-nitro- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.67; (6)ACD/BCF (pH 7.4): 11.67; (7)ACD/KOC (pH 5.5): 202; (8)ACD/KOC (pH 7.4): 202; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 43.04 cm3; (15)Molar Volume: 127.6 cm3; (16)Polarizability: 17.06×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.453 g/cm3; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 52.94 kJ/mol; (21)Boiling Point: 290 °C at 760 mmHg; (22)Vapour Pressure: 0.00212 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-nitro-benzoic acid at the ambient temperature. This reaction will need reagent (COCl)2 and solvent CH2Cl2 with the reaction time of 2 hours.
Uses of Benzoyl chloride,2-nitro-: it can be used to produce 2-nitro-benzoic acid anilide at the ambient temperature. It will need solvent CH2Cl2 with the reaction time of 2 hours. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause an explosion when heated, so you should keep the container tightly closed and in a well-ventilated place. It can cause burns. In case of insufficient ventilation, you need wear suitable respiratory equipment. 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. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1C(Cl)=O
(2)Std. InChI: InChI=1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H
(3)Std. InChIKey: BWWHTIHDQBHTHP-UHFFFAOYSA-N