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Basic information
- CAS
53987-60-3- Standard SMILES
Brc1cc2ccccc2c(Br)n1- InChIKey
JXDSEHLVLUASEI-UHFFFAOYSA-N- Molecular formula
- C9H5Br2N
- Average molar mass
- 286.95 g/mol
- Monoisotopic mass
- 284.87887336
Names & identifiers
- Preferred name
- 1,3-Dibromoisoquinoline
- IUPAC
- 1,3-dibromoisoquinoline
- English name
- 1,3-Dibromoisoquinoline
- Molecular formula
- C9H5Br2N
- Molecular weight
- 286.95
Names & synonyms
1,3-dibromoisoquinoline53987-60-3isoquinoline, 1,3-dibromo-DTXSID60348839RefChem:218404DTXCID40299911InChI=1/C9H5Br2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5MFCD00234474dibromoisoquinolineSCHEMBL901849AKOS015835846bromwasserstoffsaure Monobromisochinolin
Show more names
1,3-Dibromoisoquineline1,3-Dibromoisoquinoline 98%1,3-DIBROMOISOQUINOLINE ISO 9001：2015 REACH
CS-W021278AC-28580AS-18403SY076109BCP2627813-DibromoisoquinolineSCHEMBL29751038SCHEMBL30133425
Database identifiers
- CAS
53987-60-3- PubChem CID
- 640976
- DTXSID
DTXSID60348839
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 370.9 · 370.9±22.0 °C(Predicted)
- Density
- 1.923 · 1.923±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.49 · -1.49±0.50(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers66 total
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4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]
上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]
Related reactions
6 records
Compound notes
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