Basic information
- Standard SMILES
O=C1c2cccnc2-c2ncccc21- InChIKey
PFMTUGNLBQSHQC-UHFFFAOYSA-N- Molecular formula
- C11H6N2O
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.04801281
Overview
structure in first source
Names & identifiers
- Preferred name
- 4,5-Diazafluoren-9-one
- IUPAC
- 3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
- English name
- 4,5-DIAZAFLUOREN-9-ONE
- Molecular formula
- C11H6N2O
- Molecular weight
- 182.18
Names & synonyms
4,5-Diazafluoren-9-one50890-67-0DTXSID10321556RefChem:96434DTXCID70272676625-596-55H-cyclopenta[1,2-b:5,4-b']dipyridin-5-one5H-Cyclopenta[2,1-b:3,4-b']dipyridin-5-oneMFCD000468923,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-oneSCHEMBL5799985H-pyrido[3',2':4,5]cyclopenta[1,2-b]pyridin-5-one
Show more names
DafoAKOS BBS-000001884,5-DIAZAFLUOREN-9-O4,5-Diaza-9-fluorenone4,5-DIAZAFLUORENE-9-ONE4,5-Diaza-9H-fluoren-9-one4,5-Diazafluoren-9-one 97%
MLS0000902424,5-Diazafluoren-9-one, 97%STK776260AC-7580SY019735D4255F16183pyridino[3',2'-1,2]cyclopenta[3,4-b]pyridin-5-one
Database identifiers
- CAS
50890-67-0- PubChem CID
- 342157
- DTXSID
DTXSID10321556- ChEMBL
CHEMBL1449639- EC Number
- 625-596-5
- Nikkaji
- J482.412A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 214 · 214-217 °C (lit.)
- Boiling point
- 396.3 · 396.3±17.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in dichloromethane, tetrahydrofuran, chloroform, benzene, toluene and polar organic solvents. Insoluble in diethyl ether and alkanes.
- form
- powder to crystal
- pka
- 1.22 · 1.22±0.20(Predicted)
- color
- Light yellow to Yellow to Orange
- λmax
- 340 nm · 340nm(H2O)(lit.)
- InChI
- 1S/C11H6N2O/c14-11-7-3-1-5-12-9(7)10-8(11)4-2-6-13-10/h1-6H
- InChIKey
- PFMTUGNLBQSHQC-UHFFFAOYSA-N
- SMILES
- O=C1c2cccnc2-c3ncccc13
- CAS DataBase Reference
- 50890 · 50890-67-0
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- 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]
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- 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
Uses4,5-Diazafluoren-9-one behaves like cyclopentadienones and reacts with [Cp*Co(C2H4)2] to form air -stable sandwich-type complexes [Cp*Co(η4-2)].
Upstream & downstream products
Upstream raw materials
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
洛阳佳得康化工科技有限公司16668001218 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
长沙晶康新材料科技有限公司0733-0731-85118349 18229890050 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州科豫隆化工产品有限公司17319789407 17319789407 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司13636370518 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
52 records
Linked notes
Loading…