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CAS No.: | 433939-27-6 |
---|---|
Name: | 3-Fluoro-5-bromophenol |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H4BrFO |
Molecular Weight: | 191 |
Synonyms: | 3-Bromo-5-fluorophenol;MolPort-001-773-363;AC-3758;ST51051707;B3063;5-Bromo-3-fluorophenol; |
EINECS: | 627-426-5 |
Density: | 1.764 g/cm3 |
Melting Point: | 42oC |
Boiling Point: | 231.089 °C at 760 mmHg |
Flash Point: | 93.56 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26 |
PSA: | 20.23000 |
LogP: | 2.29380 |
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The Phenol,3-bromo-5-fluoro- with CAS registry number of 433939-27-6 is also known as 5-Bromo-3-fluorophenol. The IUPAC name is 3-Bromo-5-fluorophenol. It belongs to product categories of Aromatic Phenols; Phenol&Thiophenol&Mercaptan; Organic Building Blocks; Oxygen Compounds; Phenols. In addition, the formula is C6H4BrFO and the molecular weight is 191.00.
Physical properties about Phenol,3-bromo-5-fluoro- are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 126; (6)ACD/BCF (pH 7.4): 101; (7)ACD/KOC (pH 5.5): 1108; (8)ACD/KOC (pH 7.4): 891; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 35.818 cm3; (14)Molar Volume: 108.258 cm3; (15)Surface Tension: 44.691 dyne/cm; (16)Density: 1.764 g/cm3; (17)Flash Point: 93.56 °C; (18)Enthalpy of Vaporization: 48.674 kJ/mol; (19)Boiling Point: 231.089 °C at 760 mmHg; (20)Vapour Pressure: 0.042 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=C(C=C(C=C1F)Br)O
2. InChI: InChI=1S/C6H4BrFO/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
3. InChIKey: JCPJGUPQZDEZQH-UHFFFAOYSA-N