2,4-Dichloro-5-ethyl-3-methylphenol
Basic information
- CAS
1570-75-8- Standard SMILES
CCc1cc(O)c(Cl)c(C)c1Cl- InChIKey
GMHTUWZTSIUNIM-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2O
- Average molar mass
- 205.08 g/mol
- Monoisotopic mass
- 204.0108703
Names & identifiers
- Preferred name
- 2,4-Dichloro-5-ethyl-3-methylphenol
- IUPAC
- 2,4-dichloro-5-ethyl-3-methylphenol
- English name
- 2,4-Dichloro-5-ethyl-3-methylphenol
- Molecular formula
- C9H10Cl2O
- Molecular weight
- 205.08
Names & synonyms
2,4-dichloro-5-ethyl-3-methylphenol1570-75-8DTXSID40289751RefChem:82333DTXCID90240897633-900-2NSC 63358NSC63358CHEMBL1993133SCHEMBL11311046NSC-63358AKOS024332245
Show more names
Phenol, 2,4-dichloro-5-ethyl-3-methyl-
DA-27306NCI60_011196
Database identifiers
- CAS
1570-75-8- PubChem CID
- 247902
- DTXSID
DTXSID40289751- ChEMBL
CHEMBL1993133- EC Number
- 633-900-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 56 °C · 56 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 277.5 · 277.5±35.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- 8.28 · 8.28±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H413-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318-H413-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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