Basic information
- CAS
6130-75-2- Standard SMILES
COc1cc(Cl)c(Cl)cc1Cl- InChIKey
SXKBHOQOOGRFJF-UHFFFAOYSA-N- Molecular formula
- C7H5Cl3O
- Average molar mass
- 211.5 g/mol
- Monoisotopic mass
- 209.940598
Names & identifiers
- Preferred name
- 2,4,5-Trichloroanisole
- IUPAC
- 1,2,4-trichloro-5-methoxybenzene
- English name
- 2,4,5-Trichloroanisole
- Molecular formula
- C7H5Cl3O
- Molecular weight
- 211.47
Names & synonyms
6130-75-22,4,5-TRICHLOROANISOLEAnisole, 2,4,5-trichloro-Benzene, 1,2,4-trichloro-5-methoxy-UNII-7A45S4076ZEINECS 228-099-8NSC 49588NSC-495887A45S4076ZAI3-09172DTXSID5064120TRICHLOROANISOLE, 2,4,5-
Show more names
2,4,5-Trichloroanisol1-Methoxy-2,4,5-trichlorobenzene1,2,4-trichloro-5-methoxy-benzen2,4,5-Trichloroanisole in isopropanol2,4,5-Trichloroanisole 10 μg/mL in Isooctane
RefChem:82004DTXCID4043010Anisole, 2,4,5-trichloro-(8CI)228-099-8SXKBHOQOOGRFJF-UHFFFAOYSA-N1,2,4-Trichloro-5-methoxybenzeneMFCD001297161,2,4-trichloro-5-methoxy-benzene
Database identifiers
- CAS
6130-75-2- PubChem CID
- 22503
- DTXSID
DTXSID5064120- UNII
- 7A45S4076Z
- EC Number
- 228-099-8
- Nikkaji
- J227.309H
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 131
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP3.95
Physicochemical properties
- Melting point
- 77.5 °C · 77.5°C
- Boiling point
- 303.65 °C · 303.65°C (rough estimate)
- Density
- 1.4907 · 1.4907 (rough estimate)
- refractive index
- 1.551 · 1.5510 (estimate)
- storage temp.
- 2 · 2-8°C
- Henry's Law Constant
- 1.1 · 1.1×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- FDA UNII
- 7 A45S4076Z · 7A45S4076Z
- EPA Substance Registry System
- 1 · Benzene, 1,2,4-trichloro-5-methoxy- (6130-75-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,2,4-trichloro-5-methoxy-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers16 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安徽合诺生物科技有限公司18455579438
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Related reactions
1 records
Compound notes
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