6-Nitroquinolin-5-ylamine
Basic information
- CAS
35975-00-9- Standard SMILES
Nc1c([N+](=O)[O-])ccc2ncccc12- InChIKey
TYBYHEXFKFLRFT-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.05382646
Names & identifiers
- Preferred name
- 6-Nitroquinolin-5-ylamine
- IUPAC
- 6-nitroquinolin-5-amine
- English name
- 5-Amino-6-nitroquinoline
- Molecular formula
- C9H7N3O2
- Molecular weight
- 189.17
Names & synonyms
5-Amino-6-nitroquinoline35975-00-96-Nitroquinolin-5-ylamineDTXSID40189525EINECS 252-822-6RefChem:544104DTXCID00112016252-822-66-nitroquinolin-5-amineMFCD000067985-Quinolinamine, 6-nitro-6-nitro-5-quinolylamine
Show more names
AKOS AUF02029AKOS BBS-00001337TIMTEC-BB SBB000273OTAVA-BB BB71109526306-NITRO-5-QUINOLINAMINE6-NITRO-5-QUINOLINEAMINE5-Amino-6-mitroquinoline
6-Nitro-5-quinolinamine #SCHEMBL10855315-Amino-6-nitroquinoline, 97%STL227729AKOS000267408SB67620NS-01730SY009546
Database identifiers
- CAS
35975-00-9- PubChem CID
- 118901
- DTXSID
DTXSID40189525- EC Number
- 252-822-6
- Nikkaji
- J89.072C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LogP1.61
Physicochemical properties
- Melting point
- 272 · 272-273 °C (dec.) (lit.)
- Boiling point
- 324.42 °C · 324.42°C (rough estimate)
- Density
- 1.3249 · 1.3249 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.81 · 3.81±0.15(Predicted)
- color
- Light Yellow to Yellow
- BRN
- 166360 · 166360
- Stability
- Hygroscopic
- InChI
- 1S/C9H7N3O2/c10-9-6-2-1-5-11-7(6)3-4-8(9)12(13)14/h1-5H,10H2
- InChIKey
- TYBYHEXFKFLRFT-UHFFFAOYSA-N
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29334990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Amino-6-nitroquinoline was used in preparation of imidazoquinoline derivatives.
General DescriptionElectrochemical reduction of 5-amino-6-nitroquinoline has been studied at carbon paste electrode by differential pulse voltammetry, direct current voltammetry, adsorptive stripping voltammetry and HPLC with electrochemical detection.
Upstream & downstream products
Downstream products
Related reactions
9 records
Compound notes
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