Basic information
- CAS
36825-36-2- Standard SMILES
Nc1c(Br)cnc2ccccc12- InChIKey
TYGUEEGQSYNEHB-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2
- Average molar mass
- 223.07 g/mol
- Monoisotopic mass
- 221.97926
Names & identifiers
- Preferred name
- 4-Amino-3-bromoquinoline
- IUPAC
- 3-bromoquinolin-4-amine
- English name
- 4-Amino-3-bromoquinoline
- Molecular formula
- C9H7BrN2
- Molecular weight
- 223.07
Names & synonyms
4-amino-3-bromoquinoline36825-36-23-bromoquinolin-4-amine3-BROMO-QUINOLIN-4-YLAMINEMFCD002345023-bromo-4-quinolylamineSCHEMBL439796(3-bromo-quinolin-4-yl)-amineDTXSID30355792AC-907/25004883AKOS015854758CS-W002562
Show more names
3-Bromo-4-quinolinamine4-Quinolinamine, 3-bromo-4-Amino-3-bromoquinoline ISO 9001：2015 REACH
DS-0271FS-3276SB368563-Bromo-4-aminoquinolineAC-23724SY021107F2167-2354AM20051119
Database identifiers
- CAS
36825-36-2- PubChem CID
- 817331
- DTXSID
DTXSID30355792- Nikkaji
- J89.129K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 203 °C · 203°C
- Boiling point
- 346.8 · 346.8±27.0 °C(Predicted)
- Density
- 1.6051 · 1.6051 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 6.53 · 6.53±0.50(Predicted)
- form
- solid
- Appearance
- Off-white to light yellow Solid
- InChI
- 1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
- InChIKey
- TYGUEEGQSYNEHB-UHFFFAOYSA-N
- SMILES
- NC1=C(Br)C=NC2=C1C=CC=C2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
- wgk
- WGK 3
- hs_code
- 2933499090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-39
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Amino-3-bromoquinoline is a useful research intermediate for the preparation of aminoquinolines.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [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]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安米克化学品有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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