Basic information
- CAS
95331-56-9- Standard SMILES
Nc1ccc(-c2nc3ncccc3o2)cc1- InChIKey
IQYADSABMIDDAV-UHFFFAOYSA-N- Molecular formula
- C12H9N3O
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.07456192
Overview
4-(2-oxazolo[4,5-b]pyridinyl)aniline is a member of 1,3-oxazoles.
Names & identifiers
- Preferred name
- 4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
- IUPAC
- 4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
- English name
- 4-OXAZOLO[4,5-B]PYRIDIN-2-YL-PHENYLAMINE
- Molecular formula
- C12H9N3O
- Molecular weight
- 211.22
Names & synonyms
4-(Oxazolo[4,5-b]pyridin-2-yl)aniline95331-56-94-Oxazolo[4,5-b]pyridin-2-yl-phenylamine4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}aniline4-oxazolo[4,5-b]pyridin-2-yl-aniline4-oxazolo[4,5-b]pyridin-2-ylanilineMFCD006073204-[1,3]Oxazolo[4,5-b]pyridin-2-ylanilineCambridge id 5728242Oprea1_122102Oprea1_793423
Show more names
AKOS BB-8028ASISCHEM T309044-(Oxazolo[4,5-b]pyridine-2-yl)anilineBenzenamine, 4-oxazolo[4,5-b]pyridin-2-yl-4-(Oxazolo[4,5-b]pyridine-2-yl)benzenamine
MLS001204279CHEMBL233107SCHEMBL9155132CHEBI:115569IQYADSABMIDDAV-UHFFFAOYSA-NHMS2837M19HTS14435STK038009
Database identifiers
- CAS
95331-56-9- PubChem CID
- 486277
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
Solubility>31.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 213.6 °C · 213.6 °C
- Boiling point
- 373.9 · 373.9±22.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.97 · 2.97±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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, P317, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers21 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西纯晶萃光电科技有限公司+86-13152027579 13152027579 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
Anhuyan (Hainan) Biotechnology Co., LTD+86-18163349544 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
河南安基化工科技有限公司17836913271 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
陕西维世诺新材料有限公司029-89107144 18792503214 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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