Basic information
- Standard SMILES
COc1cccc(C=O)n1- InChIKey
YDNWTNODZDSPNZ-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767846
Names & identifiers
- Preferred name
- 6-Methoxy-2-pyridinecarboxaldehyde
- IUPAC
- 6-methoxypyridine-2-carbaldehyde
- English name
- 6-Methoxypyridine-2-carbaldehyde
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.14
Names & synonyms
54221-96-46-Methoxy-2-pyridinecarboxaldehydeRefChem:543627628-286-86-Methoxypyridine-2-carbaldehyde6-methoxypicolinaldehyde2-methoxy-6-pyridinecarboxaldehyde2-Formyl-6-methoxypyridine6-Methoxy-pyridine-2-carbaldehydeMFCD056640302-PYRIDINECARBOXALDEHYDE, 6-METHOXY-AKOS015891612
Show more names
Methoxy-6-pyridinecarboxaldeh2-Formyl-6-methoxypyridine ,97%6-Methoxy-2-pyridinecarbaldehyde6-methoxy-2-pyridinecorbaxaldehyde
CS-W003240EN300-1203162-METHOXYPYRIDINE-6-CARBOXALDEHYDESCHEMBL506568SCHEMBL3086121SCHEMBL29432664DTXSID10489468YDNWTNODZDSPNZ-UHFFFAOYSA-N
Database identifiers
- CAS
54221-96-4- PubChem CID
- 12325392
- DTXSID
DTXSID10489468- EC Number
- 628-286-8
- Nikkaji
- J273.983F
Properties
Computed structural properties
- XLogP
- 1
- 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
- Boiling point
- 103 · 103-104 ºC (20 MMHG)
- Density
- 1.14 · 1.140
- refractive index
- 1.532 · 1.532
- Flash point
- 81 · 81 ºC
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- pka
- 2.44 · 2.44±0.10(Predicted)
- color
- Colorless to Light yellow
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C7H7NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-5H,1H3
- InChIKey
- YDNWTNODZDSPNZ-UHFFFAOYSA-N
- SMILES
- C1(C=O)=NC(OC)=CC=C1
- CAS DataBase Reference
- 54221 · 54221-96-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H334-H335
- Precautionary statements
- 301 · P301+P312+P330-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-43
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 3 · 3
- HS Code
- 29333990 · 29333990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29333990
- risk_code
- 22-36/37/38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H334-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P301+P312+P330-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesSynthesis of the corresponding α-pyridoin via treatment with NaCN.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京修合医药科技有限公司19848384152 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
河北松辰医药科技有限公司0319-5801333-8008 15630992918 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [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]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海舒盟医药科技有限公司021-54540637 18621091017 · [email protected]
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南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
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上海拓莱化学科技有限公司021-31137757-00; 18121466954;18121466954 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
上海仁曲医药科技有限公司18171398856 2968382473 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海洪创医药科技有限公司18151128828 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海毓川医药科技有限公司02161555100
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
Related reactions
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Linked notes
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