Basic information
- CAS
351458-46-3- Standard SMILES
Nc1cccc2c(Br)cncc12- InChIKey
BAQIJWFGYGKBRU-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2
- Average molar mass
- 223.07 g/mol
- Monoisotopic mass
- 221.97926032
Names & identifiers
- Preferred name
- 4-Bromoisoquinolin-8-amine
- IUPAC
- 4-bromoisoquinolin-8-amine
- English name
- 8-Isoquinolinamine,4-bromo-(9CI)
- Molecular formula
- C9H7BrN2
- Molecular weight
- 223.07
Names & synonyms
4-bromoisoquinolin-8-amine351458-46-38-AMINO-4-BROMO-ISOQUINOLINE8-Amino-4-bromoisoquinolineMFCD117070498-Isoquinolinamine,4-bromo-(9CI)4-Bromo-8-aminoisoquinoline4-bromo-isoquinolin-8-ylamine4-bromo-[8]isoquinolylamine8-Isoquinolinamine, 4-bromo-SCHEMBL4068083DTXSID80332699
Show more names
BAQIJWFGYGKBRU-UHFFFAOYSA-NBDBM753532US12338238, Example 52AKOS025396500AS-37153SY258043CS-0171494Phosphorousacid,tris(1,4-dimethylethyl)ester
Database identifiers
- CAS
351458-46-3- PubChem CID
- 459772
- DTXSID
DTXSID80332699
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- Boiling point
- 375.3 · 375.3±27.0 °C(Predicted)
- Density
- 1.649 · 1.649±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 4.14 · 4.14±0.24(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 261 · P261-P280-P301+P310-P311
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311+H331
- Precautionary statements
- P261-P280-P301+P310-P311
Chemistry & industry
Suppliers20 total
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]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
天津安浩生物科技有限公司[email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
苏州康润医药有限公司0512-63913329 18962555590 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
6 records
Compound notes
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