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| CAS No.: | 81108-81-8 |
|---|---|
| Name: | 2-NITRO-4-TRIFLUOROMETHYL-BENZOYL CHLORIDE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H3ClF3NO3 |
| Molecular Weight: | 253.565 |
| Synonyms: | 2-Nitro-4-(trifluoromethyl)benzoyl chloride; |
| Density: | 1.573 g/cm3 |
| Boiling Point: | 285.4 °C at 760 mmHg |
| Flash Point: | 126.4 °C |
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| PSA: | 62.89000 |
| LogP: | 3.51580 |
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- Total:27 Page 1 of 1 1
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Specification
The Benzoyl chloride, 2-nitro-4-(trifluoromethyl)-, with the CAS registry number 81108-81-8, is also known as 2-Nitro-4-trifluoromethyl-benzoyl chloride. This chemical's molecular formula is C8H3ClF3NO3 and molecular weight is 253.56. What's more, its systematic name is called 2-Nitro-4-(trifluoromethyl)benzoyl chloride.
Physical properties about Benzoyl chloride, 2-nitro-4-(trifluoromethyl)- are: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 62.89 Å2; (9)Index of Refraction: 1.507; (10)Molar Refractivity: 48.02 cm3; (11)Molar Volume: 161.1 cm3; (12)Surface Tension: 39.3 dyne/cm; (13)Density: 1.573 g/cm3; (14)Flash Point: 126.4 °C; (15)Enthalpy of Vaporization: 52.45 kJ/mol; (16)Boiling Point: 285.4 °C at 760 mmHg; (17)Vapour Pressure: 0.00281 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=O)Cl
(2) InChI: InChI=1/C8H3ClF3NO3/c9-7(14)5-2-1-4(8(10,11)12)3-6(5)13(15)16/h1-3H
(3) InChIKey: QCYUKTBJHGSJBC-UHFFFAOYAF