Basic information
- CAS
28970-71-0- Standard SMILES
Cc1c(N)nc(Br)c2ccccc12- InChIKey
YCVJUPIKBPADHA-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2
- Average molar mass
- 237.1 g/mol
- Monoisotopic mass
- 235.99491
Names & identifiers
- Preferred name
- 1-Bromo-4-methylisoquinolin-3-amine
- IUPAC
- 1-bromo-4-methylisoquinolin-3-amine
- English name
- 1-Bromo-4-methylisoquinolin-3-amine
- Molecular formula
- C10H9BrN2
- Molecular weight
- 237.1
Names & synonyms
1-bromo-4-methylisoquinolin-3-amine28970-71-0DTXSID10302623RefChem:228625DTXCID60253757886-406-63-Isoquinolinamine, 1-bromo-4-methyl-MFCD00160676NSC152178SCHEMBL112826601-bromo-3-amino-4-methylisoquinoline1-Bromo-4-methylisoquinoline-3-amine
Show more names
3-Isoquinolinamine,1-bromo-4-methyl-1-Bromo-4-methyl-isoquinolin-3-ylamine
3-Amino-1-bromo-4-methylisoquinolineNSC-1521781-Bromo-4-methyl-3-isoquinolinamine #DB-250361EN300-2197135
Database identifiers
- CAS
28970-71-0- PubChem CID
- 289846
- DTXSID
DTXSID10302623- EC Number
- 886-406-6
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 399.8 · 399.8±37.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- pka
- 2.16 · 2.16±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933499090 · 2933499090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海黎丰实业有限公司021-69156110 13611751650 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
上海黎枫医药科技有限公司021-13681628734 13681628734 · [email protected]
Related reactions
2 records
Compound notes
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