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Home> Encyclopedia >Agrochemical Intermediates>Pharmaceutical Intermediates>Organic Intermediate
8-Aminoquinoline structure
8-Aminoquinoline structure

8-Aminoquinoline

Iupac Name:quinolin-8-amine
CAS No.: 578-66-5
Molecular Weight:144.17322
Modify Date.: 2022-10-26 10:45
Introduction: 8-Aminoquinoline has been used in:preparation of base-stabilized terminal borylene complex of osmiumspectrophotometric determination of bivalent palladium View more+
1. Names and Identifiers
1.1 Name
8-Aminoquinoline
1.2 Synonyms

4-Quinolin-8-amine 8-amino-quinolin 8-Quinolinamine 8-Quinolinylamine 8-Quinolylamine AKOS AUF01700 ASISCHEM Z74664 EINECS 209-427-9 MFCD00006809 NC 066 nc066 NSC 7933 QUINOLIN-8-AMINE Quinoline, 8-amino- TIMTEC-BB SBB004126 WR 6920 wr6920

1.3 CAS No.
578-66-5
1.4 CID
11359
1.5 EINECS(EC#)
209-427-9
1.6 Molecular Formula
C9H8N2 (isomer)
1.7 Inchi
InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
1.8 InChkey
WREVVZMUNPAPOV-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC2=C(C(=C1)N)N=CC=C2
1.10 Isomers Smiles
C1=CC2=C(C(=C1)N)N=CC=C2
2. Properties
2.1 Density
1.21
2.1 Melting point
62-65℃
2.1 Boiling point
174℃ (26 mmHg)
2.1 Refractive index
1.708
2.1 Flash Point
174℃ (26 mmHg)
2.1 Precise Quality
144.06900
2.1 PSA
38.91000
2.1 logP
2.39820
2.1 Appearance
Yellow crystals
2.2 Storage
Air Sensitive. Ambient temperatures.
2.3 Chemical Properties
green to beige-brown crystalline powder
2.4 Color/Form
Powder
2.5 pKa
pK1: 3.99(+1) (20°C,μ=0.01)
2.6 Water Solubility
slightly soluble
2.7 Stability
Stable at normal temperatures in tightly closed containers under an inert atmosphere.
2.8 StorageTemp
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere.
3. Use and Manufacturing
3.1 Purification Methods
8-Aminoquinoline crystallises from EtOH, ligroin, octane or H2O, and complexes with metals. [Beilstein 22 III/IV 4708, 22/10 V 316.] 8-Aminoquinoline Preparation Products And Raw materials Preparation Products
3.2 Usage
8-Aminoquinoline has been used in:preparation of base-stabilized terminal borylene complex of osmiumspectrophotometric determination of bivalent palladium
4. Safety and Handling
4.1 Hazard Codes
Xn
4.1 Risk Statements
R20/21/22;R36/37/38;R68
4.1 Safety Statements
S22;S26;S36/37/39
4.1 Hazard Class
IRRITANT
4.1 Safety Profile
Human mutation data reported.When heated to decomposition it emits toxic fumes ofNOx.
4.2 WGK Germany
3
4.2 RTECS
VA9627000
4.2 Sensitive
Air Sensitive
4.3 Toxicity
mmo-sat 50 mg/plate MUREAV 39,285,77
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Usage
8-Aminoquinoline has been used in the preparation of base-stabilized terminal borylene complex of osmium. It is also used in the spectrophotometric determination of bivalent palladium.
10. Computational chemical data
  • Molecular Weight: 144.17322g/mol
  • Molecular Formula: C9H8N2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 144.068748264
  • Monoisotopic Mass: 144.068748264
  • Complexity: 136
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 38.9
  • Heavy Atom Count: 11
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAQAAAADAjBHgQ8wPJIEACgAzRnRACCgCAxEiAI2CA4dJgIYOLAkZGUIAhgkADIyAcQgIAOAAAAQAACACAAAACAAAQAQAAAAAAAAA==
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