Basic information
- CAS
1129-30-2- Standard SMILES
CC(=O)c1cccc(C(C)=O)n1- InChIKey
BEZVGIHGZPLGBL-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- 2,6-Diacetylpyridine
- IUPAC
- 1-(6-acetyl-2-pyridinyl)ethanone
- English name
- 2,6-Diacetylpyridine
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
2,6-Diacetylpyridine1129-30-2Pyridine-2,6-diacetylEthanone, 1,1'-(2,6-pyridinediyl)bis-P34UXL3MYVEINECS 214-442-9NSC-63355DTXSID10150202NSC 633551,1'-(2,6-PYRIDINEDIYL)BIS(ETHANONE)1,1'-(2,6-Pyridinediyl)bis[ethanone]Pyridine2,6diacetyl
Show more names
1,1'-(pyridine-2,6-diyl)bis(ethan-1-one)2,6-DiacetyL2,6-diacetylpyrdinePyridin-2,6-diacetyl2,6-Diacetylpyridine>2,6-Diacetylpyridine,99%2,6-Diacetylpyridine 99%
RefChem:445277DTXCID0072693214-442-91-(6-acetylpyridin-2-yl)ethanone1,1'-(pyridine-2,6-diyl)diethanoneMFCD000063041-(6-acetylpyridin-2-yl)ethan-1-one1-(6-Acetyl-pyridin-2-yl)-ethanone
Database identifiers
- CAS
1129-30-2- PubChem CID
- 70790
- DTXSID
DTXSID10150202- UNII
- P34UXL3MYV
- EC Number
- 214-442-9
- Nikkaji
- J149.829K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 79 · 79-82 °C (lit.)
- Boiling point
- 126 °C · 126 °C / 6mmHg
- Density
- 1.2021 · 1.2021 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Needles or Powder
- pka
- 0.88 · 0.88±0.10(Predicted)
- color
- White to off-white
- Water Solubility
- Soluble in water, chloroform, and DMSO.
- BRN
- 118286 · 118286
- InChI
- InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
- InChIKey
- BEZVGIHGZPLGBL-UHFFFAOYSA-N
- SMILES
- C1(C(=O)C)=NC(C(=O)C)=CC=C1
- LogP
- 1.319 · 1.319 (est)
- CAS DataBase Reference
- 1129 · 1129-30-2(CAS DataBase Reference)
- FDA UNII
- 34 UXL3MYV · P34UXL3MYV
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,F
- Risk Statements
- 36 · 36/37/38-15-10
- Safety Statements
- 26 · 26-36-43-7/8
- WGK Germany
- 3 · 3
- F
- 10 · 10
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 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
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.8%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-15-10
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,F
- safety_code
- 26-36-43-7/8
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Diacetylpyridine is used as intermediate in organic synthesis. It is a precursor to ligands in coordination chemistry.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [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]
Wuhan EnTai Technology Development Co,.Ltd86-27-82330560 · [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]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
上海景颜化工科技有限公司13817811078 · [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]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
济南健丰化工有限公司0531-88110457; 18954159893
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [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]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [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]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
天津安浩生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
北京华扬致成科技有限公司13716033033 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
泰州福德科技有限公司025-0523-86200082 15380713688 · [email protected]
Related reactions
54 records
Compound notes
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