Basic information
- CAS
5347-15-9- Standard SMILES
COc1cc([N+](=O)[O-])c2ncccc2c1Br- InChIKey
SDMIYMJTQNOZRV-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2O3
- Average molar mass
- 283.08 g/mol
- Monoisotopic mass
- 281.964
Names & identifiers
- Preferred name
- 5-Bromo-6-methoxy-8-nitroquinoline
- IUPAC
- 5-bromo-6-methoxy-8-nitroquinoline
Names & synonyms
5-Bromo-6-methoxy-8-nitroquinolineRefChem:533860654-574-8Quinoline, 5-bromo-6-methoxy-8-nitro-5347-15-95-bromo-6-methoxy-8-nitro-quinolineNSC 3750BRN 0207336AI3-18683NSC37504-21-00-01125 (Beilstein Handbook Reference)SCHEMBL5186834
Show more names
DTXSID00201656SDMIYMJTQNOZRV-UHFFFAOYSA-NNSC-3750WLN: T66 BNJ GE HO1 JNWAKOS024323095
Database identifiers
- CAS
5347-15-9- PubChem CID
- 94809
- DTXSID
DTXSID00201656- EC Number
- 654-574-8
- Nikkaji
- J48.197A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
2 records
Compound notes
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