ChemicalBook--->CAS DataBase List--->933-75-5

933-75-5

933-75-5 Structure

933-75-5 Structure
IdentificationMore
[Name]

2,3,6-TRICHLOROPHENOL
[CAS]

933-75-5
[Synonyms]

2,3,6-TRICHLOROPHENOL
2,3,6-trichloro-pheno
Phenol, 2,3,6-trichloro-
2,3,6-TRICHLOROPHENOL PESTANAL, 250 MG
2,3,6-TRICHLOROPHENOL, 100MG, NEAT
2,3,6-Trichlorophenol,98%
Trichlorophenol, 2,3,6-
[EINECS(EC#)]

213-271-7
[Molecular Formula]

C6H3Cl3O
[MDL Number]

MFCD00002165
[Molecular Weight]

197.45
[MOL File]

933-75-5.mol
Chemical PropertiesBack Directory
[Appearance]

off-white, light tan to purple crystals
[Melting point ]

53-55 °C(lit.)
[Boiling point ]

88 °C (0.4 mmHg)
[density ]

1.5 g/cm3
[refractive index ]

1.5300 (estimate)
[Fp ]

78 °C
[storage temp. ]

0-6°C
[solubility ]

methanol: 0.1 g/mL, clear
[form ]

neat
[pka]

6.06±0.15(Predicted)
[color ]

Colorless needles from pet ether
[Stability:]

Stability Combustible. Incompatible with strong oxidizing agents, acid anhydrides, acid chlorides. May be hygroscopic.
[Water Solubility ]

591mg/L(25 ºC)
[BRN ]

1867596
[InChI]

InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
[InChIKey]

XGCHAIDDPMFRLJ-UHFFFAOYSA-N
[SMILES]

C1(O)=C(Cl)C=CC(Cl)=C1Cl
[CAS DataBase Reference]

933-75-5(CAS DataBase Reference)
[EPA Substance Registry System]

2,3,6-Trichlorophenol (933-75-5)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
[RIDADR ]

UN 2020 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

SN1300000
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

2908190090
[Hazardous Substances Data]

933-75-5(Hazardous Substances Data)
[Toxicity]

mmo-sat 10 mg/plate TECSDY 14,143,87
Hazard InformationBack Directory
[General Description]

Colorless needles or purple crystalline solid. Taste threshold concentration: 0.0005 mg/L. Odor threshold concentration (detection): 0.3 mg.
[Reactivity Profile]

2,3,6-TRICHLOROPHENOL(933-75-5) is incompatible with acid chlorides, acid anhydrides and oxidizing agents. .
[Air & Water Reactions]

May be hygroscopic. Insoluble in water.
[Fire Hazard]

This chemical is combustible.
[Chemical Properties]

off-white, light tan to purple crystals
[Safety Profile]

Poison by intraperitoneal route.Mutation data reported. When heated to decomposition itemits toxic fumes of Clí.
[Degradation]

LAC-4 (a laccase purified from Ganoderma lucidum) had a strong ability for 2,6- dichlorophenol (2,6-DCP) and 2,3,6-trichlorophenol (2,3,6-TCP) degradation. LAC-4 also had a good degradation effect on the chlorophenol mixture (2,6-DCP + 2,3,6-TCP). The results of the kinetics of the degradation of chlorophenols by LAC-4 suggested that the affinity of LAC-4 for 2,6-DCP was higher than that of 2,3,6-TCP. The catalytic efficiency and the catalytic rate of LAC-4 on 2,6-DCP were also significantly higher than 2,3,6-TCP. During the degradation of 2,6-DCP and 2,3,6-TCP, LAC-4 had a strong tolerance for high concentrations of different metal salts (such as MnSO4, ZnSO4, Na2SO4, MgSO4, CuSO4, K2SO4 ) and organic solvents (such as ethylene glycol and glycerol). The free radicals formed by LAC-4 oxidation of 2,6-DCP and 2,3,6-TCP produced dimers through polymerization. LAC-4 catalyzed the polymerization of 2,6-DCP and 2,3,6-TCP, forming dimer products. LAC-4 catalyzed 2,3,6-TCP into two main products: 2,3,6-trichloro-4-(2,3,6- trichlorophenoxy) phenol and 2,2',3,3',5,5' -hexachloro-[1,1' -biphenyl]-4,4' -diol[1].
[References]

[1] Wei Deng, Yang Yang, Wei Zhao. “Degradation and Detoxification of Chlorophenols with Different Structure by LAC-4 Laccase Purified from White-Rot Fungus Ganoderma lucidum.” International Journal of Environmental Research and Public Health (2022).
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,6-TRICHLOROPHENOL(933-75-5)MS
2,3,6-TRICHLOROPHENOL(933-75-5)1HNMR
2,3,6-TRICHLOROPHENOL(933-75-5)13CNMR
2,3,6-TRICHLOROPHENOL(933-75-5)IR1
2,3,6-TRICHLOROPHENOL(933-75-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

933-75-5(sigmaaldrich)
[TCI AMERICA]

2,3,6-Trichlorophenol,>98.0%(GC)(T)(933-75-5)
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