Basic information
- CAS
7509-65-1- Standard SMILES
Cc1ccc2oc(-c3cccc(N)c3)nc2c1- InChIKey
YGMVUJGLTNKWJJ-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
- IUPAC
- 3-(5-methyl-1,3-benzoxazol-2-yl)aniline
- English name
- 3-(5-methyl-1,3-benzoxazol-2-yl)aniline
- Molecular formula
- C14H12N2O
- Molecular weight
- 224.26
Names & synonyms
3-(5-methyl-1,3-benzoxazol-2-yl)phenylamineRefChem:493794657-415-03-(5-methyl-1,3-benzoxazol-2-yl)aniline7509-65-13-(5-methylbenzo[d]oxazol-2-yl)aniline3-(5-methylbenzoxazol-2-yl)phenylamineMLS000710395SMR000280162Oprea1_181376Oprea1_729181cid_348698
Show more names
Benzenamine, 3-(5-methyl-2-benzoxazolyl)
SCHEMBL2492958CHEMBL1528414SCHEMBL30153418BDBM49767DTXSID00324995YGMVUJGLTNKWJJ-UHFFFAOYSA-NHMS1609F22HMS2630B19
Database identifiers
- CAS
7509-65-1- PubChem CID
- 348698
- DTXSID
DTXSID00324995- ChEMBL
CHEMBL1528414- EC Number
- 657-415-0
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 389.7 · 389.7±25.0 °C(Predicted)
- Density
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- pka
- 3.73 · 3.73±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
上海百韧生物科技有限公司13564638271 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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