2,4-Dichloro-6-(5-isoxazolyl)phenol
Basic information
- CAS
288401-44-5- Standard SMILES
Oc1c(Cl)cc(Cl)cc1-c1ccno1- InChIKey
NWTXPEMLVWSELN-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2NO2
- Average molar mass
- 230.04 g/mol
- Monoisotopic mass
- 228.9697338
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-(5-isoxazolyl)phenol
- IUPAC
- 2,4-dichloro-6-(1,2-oxazol-5-yl)phenol
- English name
- 4 6-Dichloro-2-(5-isoxazolyl)phenol 97
- Molecular formula
- C9H5Cl2NO2
- Molecular weight
- 230.05
Names & synonyms
2,4-dichloro-6-(5-isoxazolyl)phenolRefChem:443337685-900-7288401-44-54,6-Dichloro-2-(5-isoxazolyl)phenol2,4-DICHLORO-6-(1,2-OXAZOL-5-YL)PHENOL2,4-Dichloro-6-(isoxazol-5-yl)phenolPhenol, 2,4-dichloro-6-(5-isoxazolyl)-SCHEMBL11542508DTXSID104252852,4-Dichloro-6-(5-isoxazolyl)phenol, 97%AK-198/09541014
Show more names
4 6-Dichloro-2-(5-isoxazolyl)phenol 972,4-Dichloro-6-(5-isoxazolyl)phenol 97%5-(3,5-Dichloro-2-hydroxyphenyl)isoxazoleJR-8704, 4,6-Dichloro-2-(5-isoxazolyl)phenol, 97%
(6E)-2,4-dichloro-6-(2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one2,4-Dichloro-6-(1,2-oxazol-5(2H)-ylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
288401-44-5- PubChem CID
- 854041
- DTXSID
DTXSID10425285- EC Number
- 685-900-7
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 177 · 177-180 °C(lit.)
- form
- solid
- InChI
- 1S/C9H5Cl2NO2/c10-5-3-6(8-1-2-12-14-8)9(13)7(11)4-5/h1-4,13H
- InChIKey
- NWTXPEMLVWSELN-UHFFFAOYSA-N
- SMILES
- Oc1c(Cl)cc(Cl)cc1-c2ccno2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 36/37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
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Compound notes
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