Basic information
- CAS
87626-41-3- Standard SMILES
O=Cc1ccc(Oc2cccnc2)cc1- InChIKey
VNZCKMVWWJJZIL-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 4-(Pyridin-3-yloxy)benzaldehyde
- IUPAC
- 4-pyridin-3-yloxybenzaldehyde
- English name
- 4-(Pyridin-3-yloxy)benzaldehyde
- Molecular formula
- C12H9NO2
- Molecular weight
- 199.21
Names & synonyms
4-(Pyridin-3-yloxy)benzaldehyde87626-41-3DTXSID20405472RefChem:289416DTXCID30356325689-058-14-(3-pyridyloxy)benzaldehyde4-pyridin-3-yloxybenzaldehydeMFCD038401614-[(Pyridin-3-yl)oxy]benzaldehyde3-(4-FORMYLPHENOXY)PYRIDINEBenzaldehyde, 4-(3-pyridinyloxy)-
Show more names
4-(3-PYRIDINYLOXY)BENZALDEHYDEBenzaldehyde,4-(3-pyridinyloxy)-SCHEMBL433465SCHEMBL5214250SCHEMBL312384354-(Pyridine-3-yloxy)benzaldehydeVNZCKMVWWJJZIL-UHFFFAOYSA-N4-(Pyridine-3-yloxy)-benzaldehyde
Database identifiers
- CAS
87626-41-3- PubChem CID
- 4677419
- DTXSID
DTXSID20405472- EC Number
- 689-058-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 344.8 · 344.8±22.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.18 · 4.18±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2913000090 · 2913000090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers34 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
21 records
Compound notes
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