Basic information
- CAS
324-03-8- Standard SMILES
O=C1Nc2cc(F)ccc2C1=O- InChIKey
CWVFOAVBTUHQCZ-UHFFFAOYSA-N- Molecular formula
- C8H4FNO2
- Average molar mass
- 165.12 g/mol
- Monoisotopic mass
- 165.02260659
Names & identifiers
- Preferred name
- 6-Fluoroisatin
- IUPAC
- 6-fluoro-1H-indole-2,3-dione
- English name
- 6-FLUOROISATIN
- Molecular formula
- C8H4FNO2
- Molecular weight
- 165.12
Names & synonyms
6-FluoroisatinDTXSID90327394RefChem:1073936DTXCID20278507324-03-86-Fluoroindoline-2,3-dione6-Fluoro-1H-indole-2,3-dione6-FLUORO-2,3-DIHYDRO-1H-INDOLE-2,3-DIONEMFCD03618556NSC6509111H-Indole-2,3-dione, 6-fluoro-6-Fluoroindoline-23-dione
Show more names
6-fluorolsatin6-FluoroisatineBUTTPARK 50\07-1006-FLUOROISATIN, 98.5%2H-1-Benzopyran-2-one,6-bromo-3,9-dihydro-
orb3029734SCHEMBL2307937CHEMBL1997533CWVFOAVBTUHQCZ-UHFFFAOYSA-NFr21259SBB068583STL361897AKOS001160169
Database identifiers
- CAS
324-03-8- PubChem CID
- 373905
- DTXSID
DTXSID90327394- ChEMBL
CHEMBL1997533- EC Number
- 879-785-4
- Nikkaji
- J1.212.635B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 195 · 195-196 °C(Solv: acetic acid (64-19-7))
- Density
- 1.477 · 1.477±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 8.86 · 8.86±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C8H4FNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
- InChIKey
- CWVFOAVBTUHQCZ-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC(F)=C2)C(=O)C1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海保信化学有限公司+86-021-37788663
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [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]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
Related reactions
8 records
Compound notes
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