Basic information
- CAS
173282-69-4- Standard SMILES
O=Cc1ccc(Oc2ccccc2)nc1- InChIKey
SOPOQXNWJNVZMI-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 6-Phenoxynicotinaldehyde
- IUPAC
- 6-phenoxypyridine-3-carbaldehyde
- English name
- 6-Phenoxynicotinaldehyde
- Molecular formula
- C12H9NO2
- Molecular weight
- 199.21
Names & synonyms
6-Phenoxynicotinaldehyde173282-69-46-phenoxypyridine-3-carbaldehyde6-Phenoxypyridine-3-carboxaldehyde3-Pyridinecarboxaldehyde, 6-phenoxy-MFCD026819503-Pyridinecarboxaldehyde,6-phenoxy-SCHEMBL510519SCHEMBL31556429DTXSID00380132SOPOQXNWJNVZMI-UHFFFAOYSA-N6-Phenoxy-pyridine-3-carbaldehyde
Show more names
BUTTPARK 95\50-882-Phenoxypyridine-5-carboxaldehyde6-phenoxy-3-pyridinecarboxaldehyde6-Phenoxypyridine-3-carboxaldehyde, 5-Formyl-2-phenoxypyridine
SBB092445AKOS005069329SB52414SY359811DB-010868CS-0187236D97338F217603
Database identifiers
- CAS
173282-69-4- PubChem CID
- 2776500
- DTXSID
DTXSID00380132
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 202
Physicochemical properties
- Melting point
- 100 · 100-102°C
- Boiling point
- 344.8 · 344.8±27.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 0.74 · 0.74±0.22(Predicted)
- Appearance
- Light yellow to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-43-22
- Safety Statements
- 26 · 26-36/37/39-36/37
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38-43-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36/37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers34 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Related reactions
35 records
Compound notes
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