Completing data — refresh the page later to see the latest
Basic information
- CAS
957346-37-1- Standard SMILES
O=C1NCc2cc(Br)cc(F)c21- InChIKey
ORSGCYDNFXZYKN-UHFFFAOYSA-N- Molecular formula
- C8H5BrFNO
- Average molar mass
- 230.03 g/mol
- Monoisotopic mass
- 228.95385
Names & identifiers
- Preferred name
- 5-Bromo-7-fluoro-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 5-bromo-7-fluoro-2,3-dihydroisoindol-1-one
- English name
- 5-bromo-7-fluoroisoindolin-1-one
- Molecular formula
- C8H5BrFNO
- Molecular weight
- 230.03
Names & synonyms
957346-37-15-BROMO-7-FLUORO-2,3-DIHYDRO-1H-ISOINDOL-1-ONEDTXSID40677836RefChem:102183DTXCID40628585863-165-55-BROMO-7-FLUOROISOINDOLIN-1-ONEMFCD127558605-bromo-7-fluoro-2,3-dihydroisoindol-1-one5-Bromo-7-fluoro-2,3-dihydro-isoindol-1-oneOctanoicacid,11-mercapto-SCHEMBL1476404
Show more names
5-bromo-7-fluoroisoindoleline-1-one1H-Isoindol-1-one, 5-broMo-7-fluoro-2,3-dihydro-
ORSGCYDNFXZYKN-UHFFFAOYSA-N5-bromo-7-fluoro-isoindolin-1-oneXH0426AKOS015834752AB65728NCGC01453274-01AS-60889SY035614
Database identifiers
- CAS
957346-37-1- PubChem CID
- 49758024
- DTXSID
DTXSID40677836- EC Number
- 863-165-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 455.5 · 455.5±45.0 °C(Predicted)
- Density
- 1.749 · 1.749±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.59 · 12.59±0.20(Predicted)
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers47 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
深圳市格物致欣化学技术有限公司13226079980 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海太氟医药科技有限公司13524951390 18930958102 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海相辉医药科技有限公司[email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
湖州澄博生物科技有限公司13626726938
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
苏州明石新科生物科技有限公司13914069417 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
上海泰坦企业发展有限公司16621224781 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
凌源贝卞森生物科技有限公司18642120371 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
5 records
Compound notes
Loading…