Basic information
- CAS
90721-35-0- Standard SMILES
Nc1ccc(Br)c2ccncc12- InChIKey
BTFXYVXBWMRHIB-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2
- Average molar mass
- 223.07 g/mol
- Monoisotopic mass
- 221.97926
Names & identifiers
- Preferred name
- 5-Bromoisoquinolin-8-amine
- IUPAC
- 5-bromoisoquinolin-8-amine
- English name
- 5-BROMO-8-ISOQUINOLINEAMINE
- Molecular formula
- C9H7BrN2
- Molecular weight
- 223.07
Names & synonyms
5-Bromoisoquinolin-8-amine90721-35-0DTXSID50584865RefChem:302048DTXCID50535630624-825-68-Amino-5-bromoisoquinoline5-Bromo-8-isoquinolineamine5-Bromoisoquinolin-8-ylamineMFCD092610475-BROMO-ISOQUINOLIN-8-YLAMINE8-ISOQUINOLINAMINE, 5-BROMO-
Show more names
8-Isoquinolinamine,5-bromo-(9CI)5-BROMO-8-ISOQUINOLINEAMINE ISO 9001：2015 REACH5-Bromoisoquinolin-8-amine, 5-Bromo-2-azanaphthalen-8-amine
CHEMBL4848146SCHEMBL2468235- Bromoisoquinolin-8-amine5-BROMO-8-ISOQUINOLINAMINESCHEMBL30319516BTFXYVXBWMRHIB-UHFFFAOYSA-N5-BROMO-8-AMINOISOQUINOLINE8-Amino-5-bromoisoquinoline, 90%
Database identifiers
- CAS
90721-35-0- PubChem CID
- 16218302
- DTXSID
DTXSID50584865- ChEMBL
CHEMBL4848146- EC Number
- 624-825-6
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
- Melting point
- 186 · 186-190 °C
- Boiling point
- 370.3 · 370.3±27.0 °C(Predicted)
- Density
- 1.649 · 1.649±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 5.22 · 5.22±0.36(Predicted)
- form
- Crystalline Powder
- color
- Off-white to brown
- InChI
- 1S/C9H7BrN2/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H,11H2
- InChIKey
- BTFXYVXBWMRHIB-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Br)c2ccncc12
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310+P330-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.
GHS classification
GHS Classification
Danger
H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95.2%)；Eye Irrit. 2A (95.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933499090
- risk_code
- 25-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Suppliers90 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [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]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司
Related reactions
6 records
Compound notes
Loading…