Basic information
- CAS
55484-11-2- Standard SMILES
O=C(CCl)c1cccnc1- InChIKey
RVOFYCMAWQUUEI-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO
- Average molar mass
- 155.58 g/mol
- Monoisotopic mass
- 155.01379149
Names & identifiers
- Preferred name
- 3-Chloroacetylpyridine
- IUPAC
- 2-chloro-1-pyridin-3-ylethanone
- English name
- Ethanone, 2-chloro-1-(3-pyridinyl)- (9CI)
- Molecular formula
- C7H6ClNO
- Molecular weight
- 155.58
Names & synonyms
55484-11-23-chloroacetylpyridineDTXSID80328996RefChem:278573DTXCID202801002-Chloro-1-(pyridin-3-yl)ethanone2-chloro-1-(pyridin-3-yl)ethan-1-one2-chloro-1-pyridin-3-ylethanoneEthanone, 2-chloro-1-(3-pyridinyl)-Ethanone, 2-chloro-1-(3-pyridinyl)- (9CI)2-Chloro-1-(3-pyridinyl)ethanoneMX6ZS5XZS9
Show more names
Chloroacetylpyridine3-(2-Chloroacetyl)pyridine2-chloro-1-(3-pyridyl)-ethan-1-one
SCHEMBL3829645CHEMBL4289415SCHEMBL31069819RVOFYCMAWQUUEI-UHFFFAOYSA-N2-Chloranyl-1-pyridin-3-yl-ethanoneAKOS006344512DA-04917CS-0269317
Database identifiers
- CAS
55484-11-2- PubChem CID
- 416252
- DTXSID
DTXSID80328996- ChEMBL
CHEMBL4289415- UNII
- MX6ZS5XZS9
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 51 · 51-52 °C
- Boiling point
- 272.41 · 272.410±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.777 · 2.777±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
宁波振岳医药科技有限公司19817745290 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
Related reactions
4 records
Compound notes
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