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| CAS No.: | 15950-66-0 |
|---|---|
| Name: | 2,3,4-TRICHLOROPHENOL |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C6H3Cl3O |
| Molecular Weight: | 197.448 |
| Synonyms: | 2,3,4-Trichlorophenol; |
| EINECS: | 240-083-2 |
| Density: | 1.596 g/cm3 |
| Melting Point: | 75-79 °C(lit.) |
| Boiling Point: | 260.3 °C at 760 mmHg |
| Flash Point: | 111.2 °C |
| Solubility: | Insoluble in water. |
| Appearance: | Needles (from benzene and ligroin) or light peach solid. |
| Hazard Symbols: |
 Xn；  T
|
| Risk Codes: | 22-37/38-41-23/24/25 |
| Safety: | 26-45-36/37/39 |
| Transport Information: | UN 2020 |
| PSA: | 20.23000 |
| LogP: | 3.35240 |
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Specification
The Phenol,2,3,4-trichloro-, with CAS registry number 15950-66-0, has the systematic name of 2,3,4-trichlorophenol. This chemical belongs to the following product categories: (1)Analytical Standards; (2)Chemical Class; (3)TP - TZ; (4)Alpha Sort; (5)ChloroAnalytical Standards; (6)Halogenated; (7)PhenolsInternational Standards; (8)Single Component Standards for MISA AnalysesVolatiles/ Semivolatiles; (9)T-ZAlphabetic; (10)Organic Building Blocks; (11)Oxygen Compounds; (12)Phenols; (13)Pesticides & Metabolites; (14)Q-ZAlphabetic. This chemical is a kind of Needles (from benzene and ligroin) or light peach solid. And it should be stored at the temperature of 0-6°C. What's more, its EINECS is 240-083-2.
Physical properties of Phenol,2,3,4-trichloro-: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 348.19; (6)ACD/BCF (pH 7.4): 119.56; (7)ACD/KOC (pH 5.5): 2280.27; (8)ACD/KOC (pH 7.4): 782.97; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 42.81 cm3; (15)Molar Volume: 123.7 cm3; (16)Polarizability: 16.97×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.596 g/cm3; (19)Flash Point: 111.2 °C; (20)Enthalpy of Vaporization: 51.8 kJ/mol; (21)Boiling Point: 260.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00763 mmHg at 25°C.
Uses of Phenol,2,3,4-trichloro-: it can be used to produce 6-bromo-2,3,4-trichloro-phenol. This reaction will need reagent aqueous bromine.
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When you are using this chemical, please be cautious about it as the following:
The Phenol,2,3,4-trichloro- irritates to eyes, respiratory system and skin. And this chemical is toxic by inhalation, in contact with skin and if swallowed. It also has risk of serious damage to the eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(O)c(Cl)c1Cl
(2)InChI: InChI=1/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
(3)InChIKey: HSQFVBWFPBKHEB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
(5)Std. InChIKey: HSQFVBWFPBKHEB-UHFFFAOYSA-N