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CAS No.: | 5527-95-7 |
---|---|
Name: | 4-Chloro-3-fluorobenzaldehyde |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H4ClFO |
Molecular Weight: | 158.56 |
Synonyms: | 3-Fluoro-4-chlorobenzaldehyde;5-Chloro-4-fluoro-2-benzaldehyde; |
EINECS: | 226-875-0 |
Density: | 1.352 g/cm3 |
Melting Point: | 46-49 °C(lit.) |
Boiling Point: | 217.1 °C at 760 mmHg |
Flash Point: | 85.1 °C |
Solubility: | insoluble in water |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xn,T,Xn |
Risk Codes: | 36/37/38-22-23/24/25 |
Safety: | 26-36/37/39-45 |
PSA: | 17.07000 |
LogP: | 2.29160 |
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The Benzaldehyde,4-chloro-3-fluoro-, with the CAS registry number 5527-95-7, is also known as 3-Fluoro-4-chlorobenzaldehyde. It belongs to the product categories of Fluorin-contained benzaldehyde series; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Adehydes, Acetals & Ketones; Chlorine Compounds; Fluorine Compounds; Aldehydes; C7; Carbonyl Compounds. This chemical's molecular formula is C7H4ClFO and molecular weight is 158.56. What's more, its systematic name is 4-chloro-3-fluorobenzaldehyde. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.
Physical properties of Benzaldehyde,4-chloro-3-fluoro- are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.97; (6)ACD/BCF (pH 7.4): 52.97; (7)ACD/KOC (pH 5.5): 596.55; (8)ACD/KOC (pH 7.4): 596.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 37.89 cm3; (15)Molar Volume: 117.2 cm3; (16)Polarizability: 15.02×10-24cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 85.1 °C; (20)Enthalpy of Vaporization: 45.34 kJ/mol; (21)Boiling Point: 217.1 °C at 760 mmHg; (22)Vapour Pressure: 0.135 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It is harmful if swallowed and is irritating to eyes, respiratory system and skin. 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: Fc1cc(C=O)ccc1Cl
(2)Std. InChI: InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
(3)Std. InChIKey: AZMDWRPTDCIFRD-UHFFFAOYSA-N