Basic information
- CAS
53452-81-6- Standard SMILES
COc1c(Cl)c(Cl)cc(Cl)c1Cl- InChIKey
WMMFIDNWZNCBCT-UHFFFAOYSA-N- Molecular formula
- C7H4Cl4O
- Average molar mass
- 245.9 g/mol
- Monoisotopic mass
- 243.901626
Names & identifiers
- Preferred name
- 2,3,5,6-Tetrachloroanisole
- IUPAC
- 1,2,4,5-tetrachloro-3-methoxybenzene
- English name
- 2,3,5,6-Tetrachloroanisole
- Molecular formula
- C7H4Cl4O
- Molecular weight
- 245.92
Names & synonyms
2,3,5,6-Tetrachloroanisole6936-40-91,2,4,5-TETRACHLORO-3-METHOXYBENZENEAnisole, 2,3,5,6-tetrachloro-Benzene, 1,2,4,5-tetrachloro-3-methoxy-EINECS 230-061-0NSC 21468AI3-2233064764RMB8NNSC-21468DTXSID30863963RefChem:441768
Show more names
Nsc214682,3,5,6-tetrachloro-anisol2,3,5,6-TETRACHLOROMETHOXYBENZENE2,3,5,6-Tetrachloroanisole solution1-Methxy-2,3,5,6-tetrachlorobenzene1,2,4,5-tetrachloro-3-methoxy-benzen
DTXCID00812529Benzene, 1,2,4,5-tetrachloro-3-methoxy-(9CI)230-061-01,2,4,5-Tetrachloro-3-methoxy-benzeneTetrachloromethoxybenzeneBenzene, tetrachloromethoxy-UNII-64764RMB8NBenzene,1,2,4,5-tetrachloro-3-methoxy-
Database identifiers
- CAS
53452-81-6、6936-40-9- PubChem CID
- 40774
- DTXSID
DTXSID30863963- UNII
- 64764RMB8N
- EC Number
- 230-061-0
- Nikkaji
- J131.499H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP4.68
Physicochemical properties
- Melting point
- 87 · 87-90 °C
- storage temp.
- 2 · 2-8°C
- Henry's Law Constant
- 3.2 · 3.2×10-3 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 64764 RMB8N · 64764RMB8N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H413
- Precautionary statements
- 273 · P273-P301+P312+P330-P302+P352
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-53
- Safety Statements
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 9.3% (4 of 43) of reports.
Warning
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)
Safety data
- wgk
- 3
- risk_code
- 22-37/38-53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39
- Hazard statements
- H302-H315-H335-H413
- Precautionary statements
- P273-P301+P312+P330-P302+P352
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海三牧化工技术有限公司021-38681880 13817889927 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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