Basic information
- Standard SMILES
O=C1c2ccccc2-c2ncccc21- InChIKey
LAHFQGLEIGIEMT-UHFFFAOYSA-N- Molecular formula
- C12H7NO
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.05276384
Names & identifiers
- Preferred name
- 5H-Indeno(1,2-b)pyridin-5-one
- IUPAC
- indeno[1,2-b]pyridin-5-one
- English name
- 4-AZA-9-FLUORENONE
- Molecular formula
- C12H7NO
- Molecular weight
- 181.19
Names & synonyms
3882-46-05H-Indeno[1,2-b]pyridin-5-one5H-Indeno(1,2-b)pyridin-5-oneEINECS 223-414-5DTXSID10192081NSC 158496RefChem:538284DTXCID20114572223-414-54-aza-9-fluorenoneindeno[1,2-b]pyridin-5-one4-azafluorenone
Show more names
AKOS 92850
4-azafluoren-9-oneMFCD00022194NSC-1584964-azafluorene-9-oneMaybridge1_007143ChemDiv1_025360QU4UN93QQXCambridge id 5511275
Database identifiers
- CAS
3882-46-0- PubChem CID
- 77489
- DTXSID
DTXSID10192081- ChEMBL
CHEMBL483212- UNII
- QU4UN93QQX
- EC Number
- 223-414-5
- Nikkaji
- J217.732C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 139 · 139-140 °C
- Boiling point
- 361 · 361.0±11.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 1.97 · 1.97±0.20(Predicted)
- FDA UNII
- 4 UN93QQX · QU4UN93QQX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Suppliers19 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Related reactions
25 records
Linked notes
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