2-Propionylpyridine

HCID 520574
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Basic information

CAS
3238-55-9
Standard SMILES
CCC(=O)c1ccccn1
InChIKey
ZHAZHKPVEROFLH-UHFFFAOYSA-N
Molecular formula
C8H9NO
Average molar mass
135.16 g/mol
Monoisotopic mass
135.06841391

Names & identifiers

Preferred name
2-Propionylpyridine
IUPAC
1-pyridin-2-ylpropan-1-one
English name
2-Propionylpyridine
Molecular formula
C8H9NO
Molecular weight
135.16

Names & synonyms

2-Propionylpyridine3238-55-91-Propanone, 1-(2-pyridinyl)-2-Pyridyl ethyl ketone1-Propanone, 1-(2-pyridyl)-DTXSID00334397RefChem:89303DTXCID10285487ZHAZHKPVEROFLH-UHFFFAOYSA-N1-(pyridin-2-yl)propan-1-one1-pyridin-2-ylpropan-1-one1-(2-Pyridinyl)-1-propanone
Show more names
2-Propanoylpyridine1-(2-Pyridyl)-1-propanone2-Propionylpyridine (Standard)
MFCD00023486methylacetylpyridine2-propionyl pyridineethyl-2-pyridylketone1-(2-pyridyl)propan-1-oneSCHEMBL1564961-pyridin-2-yl-propan-1-oneorb3023254

Database identifiers

CAS
3238-55-9
PubChem CID
520574
DTXSID
DTXSID00334397
EC Number
877-127-0
Nikkaji
J113.917G

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1165；1102；1114

1137

1676

Physicochemical properties

Melting point
206 · 206-207 °C
Boiling point
95 · 95-100 °C(Press: 15 Torr)
Density
1.034 · 1.034±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
form
liquid
pka
3.02 · 3.02±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (66.7%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (66.7%)

Safety data

wgk
WGK 3
hs_code
2933399990
risk_code
22-36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn

Chemistry & industry

Applications

Uses2-Propionylpyridine is used in preparation of Oxodiphenyldihydropyrazolecarboxamide derivatives and analogs for use as ACSS2 inhibitors.

Upstream & downstream products

Suppliers57 total

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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