Basic information
- CAS
17537-64-3- Standard SMILES
CC(=O)c1cn(C(C)=O)c2ccccc12- InChIKey
STUZJORZRZCLRI-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 1,3-Diacetyl-1H-indole
- IUPAC
- 1-(1-acetylindol-3-yl)ethanone
- English name
- 1,3-Diacetylindole
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
1,3-Diacetylindole17537-64-31,1'-(1H-Indole-1,3-diyl)diethanone1-(1-acetylindol-3-yl)ethanone1,3-Diacetyl-1H-indoleEthanone, 1,1'-(1H-indole-1,3-diyl)bis-ZMC5Q633FJ1H-Indole, 1,3-diacetyl-1,3-DiacetylindolN,3-diacetyl-indole1-(3-acetyl-1H-indol-1-yl)ethan-1-oneEINECS 241-532-5
Show more names
1-(1-Acetyl-1H-indol-3-yl)ethanone1-(1-Acetyl-1H-indol-3-yl)ethan-1-one1-(1-ACETYL-1H-INDOL-3-YL)-1-ETHANONE
NSC-24940NSC-47179DTXSID30169977NSC 24940NSC 471791,1'-(1H-INDOLE-1,3-DIYL)BIS(ETHANONE)1,1'-(1H-Indole-1,3-diyl)bis[ethanone]RefChem:72570
Database identifiers
- CAS
17537-64-3- PubChem CID
- 87151
- DTXSID
DTXSID30169977- UNII
- ZMC5Q633FJ
- EC Number
- 241-532-5
- Nikkaji
- J287.076B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 144 · 144-147°C
- Boiling point
- 338.8 · 338.8±15.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- Off-white to light yellow Solid
- Sensitive
- Moisture Sensitive
- BRN
- 159285 · 159285
- CAS DataBase Reference
- 17537 · 17537-64-3(CAS DataBase Reference)
- FDA UNII
- 5 Q633FJ · ZMC5Q633FJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-24/25
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
- 2933998090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Suppliers48 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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