Basic information
- CAS
6302-03-0- Standard SMILES
CC(=O)Cc1cccnc1- InChIKey
WPDJRDYNRNXPBX-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 3-Acetonylpyridine
- IUPAC
- 1-pyridin-3-ylpropan-2-one
- English name
- 3-(2-OXO-PROPYL)-PYRIDINIUM, CHLORIDE
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
6302-03-03-Acetonylpyridine1-(3-pyridinyl)-2-propanone2-Propanone, 1-(3-pyridinyl)-1-(3-Pyridyl)acetoneMethyl 3-Pyridylmethyl KetoneT3MG75L21YNSC-42755RefChem:10672511-(pyridin-3-yl)propan-2-one1-pyridin-3-ylpropan-2-one1-PYRIDIN-3-YL-PROPAN-2-ONE
Show more names
NSC 42755acetone hydrochLMilrinone impurity Z11
3-PYRIDINYLACETONEMFCD08457626Milrinone Impurity Y3-(2-OXO-PROPYL)-PYRIDINIUM, CHLORIDE1-(3-Pyridyl)propan-2-one1-(3-Pyridinyl)-2-propanone; Methyl 3-Pyridylmethyl Ketone; NSC 427552-Propanone,1-(3-pyridinyl)-NSC42755
Database identifiers
- CAS
6302-03-0- PubChem CID
- 238414
- DTXSID
DTXSID50285769- UNII
- T3MG75L21Y
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 110 · 110-115 °C
- Boiling point
- 80 · 80-81 °C(Press: 1 Torr)
- Density
- 1.064 g/cm3 · 1.064 g/cm3
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Oil
- pka
- 4.66 · 4.66±0.10(Predicted)
- color
- Yellow
- InChI
- 1S/C8H9NO.ClH/c1-7(10)5-8-3-2-4-9-6-8;/h2-4,6H,5H2,1H3;1H
- InChIKey
- XFCBHJHQYPNYHS-UHFFFAOYSA-N
- SMILES
- Cl.CC(=O)Cc1cccnc1
- FDA UNII
- 3 MG75L21Y · T3MG75L21Y
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers36 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海睿升化工科技有限公司+86-021-50935922
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
凯试（上海）科技有限公司
Related reactions
3 records
Compound notes
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