Basic information
- CAS
1008-95-3- Standard SMILES
Nc1ccc(-c2cnco2)cc1- InChIKey
SLJBMRSOKUTXDF-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 4-(1,3-Oxazol-5-yl)aniline
- IUPAC
- 4-(1,3-oxazol-5-yl)aniline
- English name
- 4-(1,3-Oxazol-5-yl)aniline
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
4-(1,3-Oxazol-5-yl)aniline1008-95-34-(oxazol-5-yl)anilineDTXSID30333712RefChem:510177DTXCID40284802835-673-74-(5-Oxazolyl)anilineBenzenamine, 4-(5-oxazolyl)-MFCD000521925-(4-Aminophenyl)oxazole4-oxazol-5-yl-phenylamine
Show more names
4-(1,3-Oxazol-5-yl)4-(1,3-Oxazol-5-yl)aniline, tech
Benzenamine,4-(5-oxazolyl)-4-oxazol-5-ylaniline4-oxazol-5-yl-anilineMaybridge3_0012994-oxazol -5-yl-aniline4-(oxazol-5-yl)benzenamine4-oxazol-5-yl-phenyl-amine4-(Oxazol-5-yl)phenylamine
Database identifiers
- CAS
1008-95-3- PubChem CID
- 517747
- DTXSID
DTXSID30333712- ChEMBL
CHEMBL4210717- EC Number
- 835-673-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 318.7 · 318.7±17.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 3.46 · 3.46±0.10(Predicted)
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-36-22
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- 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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers61 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
武汉创浩生物科技有限公司13361917963 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Related reactions
20 records
Compound notes
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