Basic information
- CAS
41373-36-8- Standard SMILES
Nc1cccc(-c2nc3ccccc3o2)c1- InChIKey
WHVJDKRJPAKQIO-UHFFFAOYSA-N- Molecular formula
- C13H10N2O
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.07931295
Names & identifiers
- Preferred name
- 3-(1,3-Benzoxazol-2-yl)aniline
- IUPAC
- 3-(1,3-benzoxazol-2-yl)aniline
- English name
- 3-BENZOOXAZOL-2-YL-PHENYLAMINE
- Molecular formula
- C13H10N2O
- Molecular weight
- 210.23
Names & synonyms
3-(1,3-benzoxazol-2-yl)anilineRefChem:489253879-668-83-Benzooxazol-2-yl-phenylamine41373-36-83-(benzo[d]oxazol-2-yl)anilineMFCD005791103-(2-Benzoxazolyl)benzenamineF0913-0305TimTec1_000910Oprea1_300087Oprea1_344725
Show more names
AKOS BB-8489ASISCHEM T30959TIMTEC-BB SBB007359OTAVA-BB BB7216513343LABOTEST-BB LT00133885Benzenamine, 3-(2-benzoxazolyl)-
3-benzoxazol-2-ylphenylamine2-(3-Aminophenyl)benzoxazoleSCHEMBL760587SCHEMBL8970064SCHEMBL21179431SCHEMBL21180368DTXSID20352194WHVJDKRJPAKQIO-UHFFFAOYSA-N
Database identifiers
- CAS
41373-36-8- PubChem CID
- 720987
- DTXSID
DTXSID20352194- EC Number
- 879-668-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 375.2 · 375.2±25.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 3.73 · 3.73±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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]
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers19 total
Syntechem Co.,Ltd[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
南京圣赛化工有限公司025-85205967 13951876367 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [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]
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]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
Related reactions
2 records
Compound notes
Loading…