Basic information
- CAS
87-40-1- Standard SMILES
COc1c(Cl)cc(Cl)cc1Cl- InChIKey
WCVOGSZTONGSQY-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3O
- Average molar mass
- 211.5 g/mol
- Monoisotopic mass
- 209.940598
Overview
2,4,6-trichloroanisole is a monomethoxybenzene that is 1,3,5-trichlorobenzene in which one of the hydrogens is replaced by a methoxy group. It is a monomethoxybenzene and a trichlorobenzene.
Names & identifiers
- Preferred name
- 2,4,6-Trichloroanisole
- IUPAC
- 1,3,5-trichloro-2-methoxybenzene
- English name
- 2,4,6-Trichloroanisole
- Molecular formula
- C7H5Cl3O
- Molecular weight
- 211.47
Names & synonyms
2,4,6-TRICHLOROANISOLE87-40-11,3,5-Trichloro-2-methoxybenzeneTyreneTRICHLOROANISOLEMethyl 2,4,6-trichlorophenyl etherCHEBI:19333NSC-3514231O3X41254DTXSID9073886RefChem:442880DTXCID0048551
Show more names
2,4,6-TRICHLOROANISOLBifeprunox Impurity 532,4,6-Trichloroanisole >2,4,6-TRICHLOROMETHOXYBENZENE2,4,6-trichloroanisole solution
201-743-52,4,6-Trichloro-1-methoxybenzeneBenzene, 1,3,5-trichloro-2-methoxy-MFCD000005882,4.6-TrichloroanisoleAnisole, 2,4,6-trichloro-2,6-TrichloroanisoleUNII-31O3X41254
Database identifiers
- CAS
87-40-1- PubChem CID
- 6884
- DTXSID
DTXSID9073886- ChEBI
CHEBI:19333- UNII
- 31O3X41254
- EC Number
- 201-743-5
- Nikkaji
- J4.277C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP
4.11
4.02
Solubility0.01 mg/mL at 20 °C
Boiling Point241.00 °C. @ 760.00 mm Hg
Melting Point61 - 62 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 60 · 60-62 °C (lit.)
- Boiling point
- 132 °C/28 · 132 °C/28 mmHg (lit.)
- Density
- 1.64 · 1.6400
- refractive index
- 1.551 · 1.5510 (estimate)
- Flash point
- 11 °C · 11 °C
- storage temp.
- room temp
- solubility
- benzene: soluble(lit.)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.
Warning
H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 1230 3/PG 2
- hs_code
- 2909.30.6000
- risk_code
- 22-36-39/23/24/25-23/24/25-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,F
- safety_code
- 26-45-36/37-16-7
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319-H413
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2
- Precautionary statements
- P264-P270-P273-P280-P301+P312-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesDyeing auxiliary for polyester fabrics.
Uses2,4,6-Trichloroanisole is used in method for reducing odor in room in remodeling work by removing causative substances.
General Description2,4,6-Trichloroanisole (TCA) is responsible for the cork taint in wines. TCA has been quantitated in bark cork stoppers by supercritical fluid extraction (SFE) method. Degradation of TCA catalyzed by raw bauxite via ozonation in water has been investigated.
Upstream & downstream products
Downstream products
Suppliers73 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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