2,3,4,5-Tetrachloroanisole
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Basic information
- CAS
938-86-3- Standard SMILES
COc1cc(Cl)c(Cl)c(Cl)c1Cl- InChIKey
FUUHMSUPRUNWRQ-UHFFFAOYSA-N- Molecular formula
- C7H4Cl4O
- Average molar mass
- 245.9 g/mol
- Monoisotopic mass
- 243.901626
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachloroanisole
- IUPAC
- 1,2,3,4-tetrachloro-5-methoxybenzene
- English name
- 2,3,4,5-Tetrachloroanisole
- Molecular formula
- C7H4Cl4O
- Molecular weight
- 245.92
Names & synonyms
2,3,4,5-TETRACHLOROANISOLE1,2,3,4-Tetrachloro-5-methoxybenzeneAnisole, 2,3,4,5-tetrachloro-Benzene, 1,2,3,4-tetrachloro-5-methoxy-EINECS 213-349-08C2BM6P34LDTXSID90239660RefChem:81240DTXCID40162151FUUHMSUPRUNWRQ-UHFFFAOYSA-N938-86-3MFCD00012240
Show more names
2,3,4,5-TETRACHLOROMETHOXYBENZENE2,3,4,5-Tetrachloro-1-methoxybenzene1-Methoxy-2,3,4,5-tetrachloro-5benzene2,3,4,5-Tetrachloroanisole 10 μg/mL in Isooctane
1,2,3,4-Tetrachloro-5-methoxy-benzenetetrachloroanisoleUNII-8C2BM6P34LSCHEMBL914797SCHEMBL29749799MSK001240-100T1,2,3,4-Tetrachloro-5-methoxybenzene #DB-057443
Database identifiers
- CAS
938-86-3- PubChem CID
- 13649
- DTXSID
DTXSID90239660- UNII
- 8C2BM6P34L
- EC Number
- 213-349-0
- Nikkaji
- J131.498J
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- 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
- 154
Physicochemical properties
- Melting point
- 83 · 83-85 °C(lit.)
- Boiling point
- 349.81 °C · 349.81°C (rough estimate)
- Density
- 1.6514 · 1.6514 (rough estimate)
- refractive index
- 1.5133 · 1.5133 (estimate)
- Water Solubility
- 1.35 mg/L · 1.35mg/L(25 ºC)
- Henry's Law Constant
- 6.5 · 6.5×10-3 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
- FDA UNII
- 8 C2BM6P34L · 8C2BM6P34L
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Compound notes
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