Basic information
- CAS
64047-49-0- Standard SMILES
Nc1oncc1-c1ccc(Cl)cc1- InChIKey
GWZGFUKSSKIWAP-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-5-isoxazolamine
- IUPAC
- 4-(4-chlorophenyl)-1,2-oxazol-5-amine
- English name
- 4-(4-Chloro-phenyl)-isoxazol-5-ylamine
- Molecular formula
- C9H7ClN2O
- Molecular weight
- 194.62
Names & synonyms
4-(4-chlorophenyl)-5-isoxazolamineRefChem:514098960-734-064047-49-04-(4-chlorophenyl)isoxazol-5-amine4-(4-Chloro-phenyl)-isoxazol-5-ylamine4-(4-chlorophenyl)-1,2-oxazol-5-amineISOXAZOLE, 5-AMINO-4-(p-CHLOROPHENYL)-MFCD01747260CHEMBL4160126USAF EL-654-(4-chlorophenyl)isoxazole-5-ylamine
Show more names
5-Isoxazolamine, 4-(4-chlorophenyl)-4-(4-chlorophenyl)-5-isoxazolamine(SALTDATA: FREE)
5-Amino-4-(p-chlorophenyl)isoxazoleSCHEMBL17532587DTXSID60214126BDBM50321335SBB019043STK787924AKOS005622426CCG-126877
Database identifiers
- CAS
64047-49-0- PubChem CID
- 46702
- DTXSID
DTXSID60214126- ChEMBL
CHEMBL4160126- EC Number
- 960-734-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 362.7 · 362.7±32.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- pka
- -1.98 · -1.98±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H227
- Precautionary statements
- 501 · P501-P270-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P403+P235
- HS Code
- 2934999090 · 2934999090
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H227
- Precautionary statements
- P501-P270-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P403+P235
Chemistry & industry
Suppliers6 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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