Basic information
- CAS
22501-77-5- Standard SMILES
Cc1ccc2oc(-c3ccc(N)cc3)nc2c1- InChIKey
TZIKYKSWQZSLOO-UHFFFAOYSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
- IUPAC
- 4-(5-methyl-1,3-benzoxazol-2-yl)aniline
- English name
- 4-(5-METHYL-BENZOOXAZOL-2-YL)-PHENYLAMINE
- Molecular formula
- C14H12N2O
- Molecular weight
- 224.26
Names & synonyms
4-(5-methyl-1,3-benzoxazol-2-yl)phenylamineRefChem:514758657-411-922501-77-54-(5-methyl-1,3-benzoxazol-2-yl)aniline4-(5-Methyl-benzooxazol-2-yl)-phenylamine4-(5-methylbenzo[d]oxazol-2-yl)anilineMFCD005790674-(5-Methylbenzoxazol-2-yl)phenylamineNSC508412Oprea1_003350Oprea1_850177
Show more names
AKOS BB-8498ASISCHEM T30956ART-CHEM-BB B025518TIMTEC-BB SBB000643LABOTEST-BB LT00141851Benzenamine, 4-(5-methyl-2-benzoxazolyl)-
SCHEMBL474369SCHEMBL28865369SCHEMBL31154077DTXSID80325460TZIKYKSWQZSLOO-UHFFFAOYSA-NALBB-014709SBB000643STK347628
Database identifiers
- CAS
22501-77-5- PubChem CID
- 350189
- DTXSID
DTXSID80325460- EC Number
- 657-411-9
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
- 263
Physicochemical properties
- Melting point
- 188 · 188-189.5 °C
- Boiling point
- 376.8 · 376.8±25.0 °C(Predicted)
- Density
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- pka
- 3.3 · 3.30±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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 40 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
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers24 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
上海源叶生物科技有限公司18916372613 · [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]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
Related reactions
1 records
Compound notes
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