Basic information
- Standard SMILES
Cc1cccnc1C=O- InChIKey
JDYVLWWFVYNMTN-UHFFFAOYSA-N- Molecular formula
- C7H7NO
- Average molar mass
- 121.14 g/mol
- Monoisotopic mass
- 121.05276384
Names & identifiers
- Preferred name
- 3-Methylpyridine-2-carboxaldehyde
- IUPAC
- 3-methylpyridine-2-carbaldehyde
- English name
- 3-METHYL-2-PYRIDINECARBOXALDEHYDE
- Molecular formula
- C7H7NO
- Molecular weight
- 121.14
Names & synonyms
3-METHYLPYRIDINE-2-CARBOXALDEHYDERefChem:504332625-569-855589-47-43-methylpicolinaldehyde3-methylpyridine-2-carbaldehyde3-Methyl-2-pyridinecarboxaldehyde3-Methyl-pyridine-2-carbaldehyde3-methyl-pyridine-2-carbaldehyMFCD02181144Pyridinecarboxaldehyde, methyl-2-Formyl-3-methylpyridine
Show more names
3-Methypyridine-2-carbaldehyde3-METHYL-2-PYRIDINECARB3-Methyl-pyridine-2-carba...3-Methylpyridin-2-formaldehyde3-Methylpyridin-2-carbaldehyde3-Methyl-2-pyridinecarbaldehyde
3-methyl-2-pyridine AldehydeDTXSID403635453-methyl-pyridine-2-carboxaldehyde3-Methylpyridine-2-carboxaldehyde, 97%SY0084663-Methyl-2-pyridinaldehyde2-Formyl-3-picolinemethylpicoline aldehyde
Database identifiers
- CAS
55589-47-4- PubChem CID
- 1501874
- DTXSID
DTXSID40363545- EC Number
- 625-569-8
- Nikkaji
- J1.062.434G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 8 °C · 8°C(lit.)
- Boiling point
- 84 °C/13mmHg · 84°C/13mmHg(lit.)
- Density
- 1.08 g/mL · 1.080 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.538
- Flash point
- 74 °C · 74 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 4.22 · 4.22±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to yellow
- Water Solubility
- Slightly soluble in water.
- InChI
- 1S/C7H7NO/c1-6-3-2-4-8-7(6)5-9/h2-5H,1H3
- InChIKey
- JDYVLWWFVYNMTN-UHFFFAOYSA-N
- SMILES
- Cc1cccnc1C=O
- CAS DataBase Reference
- 55589 · 55589-47-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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 (97.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.
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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
成都科瑞嘉医药科技有限公司18290480864 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
安徽合诺生物科技有限公司18455579438
上海浦洛凯医药科技有限公司17269768198 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
南京博源医药科技有限公司025-58649566 15005191108 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
金瓯生物医药（南京）有限公司13000000000 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海驭远医药科技有限公司13052276172 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
池州凯隆进出口贸易有限公司[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]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
Related reactions
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