Basic information
- CAS
65873-72-5- Standard SMILES
COc1ccc(C=O)cn1- InChIKey
CTAIEPPAOULMFY-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767846
Names & identifiers
- Preferred name
- 6-Methoxypyridine-3-carbaldehyde
- IUPAC
- 6-methoxypyridine-3-carbaldehyde
- English name
- 6-Methoxynicotinaldehyde
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.14
Names & synonyms
6-Methoxy-3-pyridinecarboxaldehyde6-methoxypyridine-3-carbaldehydeRefChem:543733627-354-46-Methoxynicotinaldehyde65873-72-55-FORMYL-2-METHOXYPYRIDINE2-METHOXYPYRIDINE-5-CARBOXALDEHYDEMFCD026834465-Formyl-2-methoxy-pyridine6-Methoxy-3-nicotinaldehyde3-Pyridinecarboxaldehyde, 6-methoxy-
Show more names
6-Methxoynicotinaldehyde6-methoxy-3-pyridinecorbaxaldehyde
6-methoxy-nicotinaldehyde6-methoxy-3-pyridinecarbaldehyde6-Methoxy-pyridin-3-carbaldehydeCS-D0960BP-11863EN300-881286-Methoxy-pyridine-3-carbaldehyde3-formyl-6-methoxypyridine
Database identifiers
- CAS
65873-72-5- PubChem CID
- 3364576
- DTXSID
DTXSID90391833- UNII
- AF4QXJ493F
- EC Number
- 627-354-4
- Nikkaji
- J273.984D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 51 · 51-54 °C (lit.)
- Boiling point
- 65 · 65-70 °C(Press: 12 Torr)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- Flash point
- 225 °F · 225 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.6 · 1.60±0.10(Predicted)
- form
- Crystalline Powder
- color
- Off-white to light yellow
- Water Solubility
- insoluble
- InChI
- InChI=1S/C7H7NO2/c1-10-7-3-2-6(5-9)4-8-7/h2-5H,1H3
- InChIKey
- CTAIEPPAOULMFY-UHFFFAOYSA-N
- SMILES
- C1=NC(OC)=CC=C1C=O
- CAS DataBase Reference
- 65873 · 65873-72-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
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)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 31-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30502
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAn intermediate for the synthesis of the somatostatic sst3 receptor.
UsesSubstrate used in a synthesis of flavanones via an L-proline-catalyzed condensation with o-hydroxyarylketones.
General Description6-Methoxy-3-pyridinecarboxaldehyde, also known as 6-methoxy-3-nicotinaldehyde, can be prepared from 5-bromo-2-methoxypyridine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
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南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
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玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
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Related reactions
111 records
Compound notes
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