Basic information
- CAS
213690-32-5- Standard SMILES
Cc1cc(O)c(-c2ccno2)cc1Cl- InChIKey
UTQSNRFGRKTOHC-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2
- Average molar mass
- 209.63 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-(5-isoxazolyl)-5-methylphenol
- IUPAC
- 4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenol
- English name
- 4-Chloro-2-(5-isoxazolyl)-5-methylphenol
- Molecular formula
- C10H8ClNO2
- Molecular weight
- 209.63
Names & synonyms
4-chloro-2-(5-isoxazolyl)-5-methylphenol213690-32-5DTXSID70425286RefChem:520933DTXCID90376120685-908-04-Chloro-2-(isoxazol-5-yl)-5-methylphenol4-CHLORO-5-METHYL-2-(1,2-OXAZOL-5-YL)PHENOL4-chloro-2-isoxazol-5-yl-5-methyl-phenol5-(5'-Chloro-2'-hydroxy-4'-methylphenyl)-isoxazoleOprea1_061920MLS000705610
Show more names
Phenol, 4-chloro-2-(5-isoxazolyl)-5-methyl-JRH-01905, 4-Chloro-2-(isoxazol-5-yl)-5-methylphenol, 97%
SCHEMBL2414981CHEMBL1348085SCHEMBL20378022UTQSNRFGRKTOHC-UHFFFAOYSA-NHMS2571F07MFCD00799504AKOS027380994FC67073
Database identifiers
- CAS
213690-32-5- PubChem CID
- 854042
- DTXSID
DTXSID70425286- ChEMBL
CHEMBL1348085- EC Number
- 685-908-0
- Nikkaji
- J996.094E
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 203
Physicochemical properties
- Melting point
- 235 °C · 235 °C (dec.) (lit.)
- form
- solid
- InChI
- 1S/C10H8ClNO2/c1-6-4-9(13)7(5-8(6)11)10-2-3-12-14-10/h2-5,13H,1H3
- InChIKey
- UTQSNRFGRKTOHC-UHFFFAOYSA-N
- SMILES
- Cc1cc(O)c(cc1Cl)-c2ccno2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
General Description4-Chloro-2-(5-isoxazolyl)-5-methylphenol is an isoxazole derivative.
Suppliers6 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
2 records
Compound notes
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