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| CAS No.: | 22233-54-1 |
|---|---|
| Name: | 3-CHLORO-5-NITROBENZALDEHYDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C7H4ClNO3 |
| Molecular Weight: | 185.567 |
| Synonyms: | 3-CHLORO-5-NITROBENZALDEHYDE;3-Chloro-5-nitrolbenzaldehyde |
| Density: | 1.485 g/cm3 |
| Boiling Point: | 281.4 °C at 760 mmHg |
| Flash Point: | 124 °C |
| PSA: | 62.89000 |
| LogP: | 2.58390 |
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- Total:33 Page 1 of 1 1
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Specification
The Benzaldehyde,3-chloro-5-nitro-, with CAS registry number 22233-54-1, has the systematic name of 3-chloro-5-nitrobenzaldehyde. And the chemical formula of this chemical is C7H4ClNO3. Its molecular weight is 185.56.
Physical properties of Benzaldehyde,3-chloro-5-nitro-: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.57; (6)ACD/BCF (pH 7.4): 43.57; (7)ACD/KOC (pH 5.5): 518.71; (8)ACD/KOC (pH 7.4): 518.71; (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: 1.63; (14)Molar Refractivity: 44.44 cm3; (15)Molar Volume: 124.8 cm3; (16)Polarizability: 17.61×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.485 g/cm3; (19)Flash Point: 124 °C; (20)Enthalpy of Vaporization: 52.02 kJ/mol; (21)Boiling Point: 281.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00358 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(cc(Cl)c1)C=O
(2)InChI: InChI=1/C7H4ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
(3)InChIKey: KXGORBDLPVCCOJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H4ClNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
(5)Std. InChIKey: KXGORBDLPVCCOJ-UHFFFAOYSA-N