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Quinolin-2-amine structure
Quinolin-2-amine structure

Quinolin-2-amine

Iupac Name:quinolin-2-amine
CAS No.: 580-22-3
Molecular Weight:144.17322
Modify Date.: 2022-10-26 09:29
Introduction: Used in organic synthesis and pharmaceutical industry View more+
1. Names and Identifiers
1.1 Name
Quinolin-2-amine
1.2 Synonyms

2(1H)-Quinolinimine 2-Aminoquindine 2-amino-quinolin 2-AMINOQUINOLINE 2-QUINOLINAMINE Aminoquinoline aminquinol EINECS 209-458-8 iminoquinoline MFCD00038079 QUINOLIN-2-YLAMINE Quinoline, 2-amino-

1.3 CAS No.
580-22-3
1.4 CID
11379
1.5 EINECS(EC#)
209-458-8
1.6 Molecular Formula
C9H8N2 (isomer)
1.7 Inchi
InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
1.8 InChkey
GCMNJUJAKQGROZ-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC=C2C(=C1)C=CC(=N2)N
1.10 Isomers Smiles
C1=CC=C2C(=C1)C=CC(=N2)N
2. Properties
3.1 Density
1.21
3.1 Melting point
120 - 122 C
3.1 Boiling point
304.9°Cat760mmHg
3.1 Refractive index
 
3.1 Flash Point
163.6°C
3.1 Precise Quality
144.06900
3.1 PSA
38.91000
3.1 logP
2.39820
3.1 Appearance
light yellow crystals
3.2 Chemical Properties
colorless to light yellow liquid
3.3 Color/Form
Powder
3.4 pKa
3.43(at 20℃)
3.5 Water Solubility
soluble
3.6 Stability
Stable under normal temperatures and pressures.
3.7 StorageTemp
Keep in dark place,Inert atmosphere,Room temperature
3. Safety and Handling
4.1 Symbol
GHS05, GHS07
4.1 Hazard Codes
Xn
4.1 Signal Word
Danger
4.1 Risk Statements
R20/21/22;R36/37/38
4.1 Safety Statements
S26;S36/37/39
4.1 Hazard Class
IRRITANT, AIR SENSITIVE, IRRITANT-HARMFUL
4.1 Hazard Declaration
H302-H315-H318-H335
4.1 RIDADR
25kgs
4.1 Safety Profile
Mutation data reported. Whenheated to decomposition it emits toxic vapors of NOx. Quinolin-2-amine Preparation Products And Raw materials Raw materials
4.2 Caution Statement
P261-P280-P305 + P351 + P338
4.2 WGK Germany
3
4.2 RTECS
VA9621800
4.2 Safety
Hazard Codes:Xi,Xn
Risk Statements:36/37/38-20/21/22
36/37/38:Irritating to eyes, respiratory system and skin
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:26-36/37/39-22
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
22:Do not breathe dust
HazardClass:IRRITANT, AIR SENSITIVE, IRRITANT-HARMFUL
Hazard Note:Harmful/Irritant
4.3 Specification

colorless to light yellow liquid
Safety Statements:26-36/37/39-22
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
22:Do not breathe dust
4.4 Toxicity
mma-sat 500 nmol/plate ABCHA6 42,861,78
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

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.

P310 Immediately call a POISON CENTER/doctor/…

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Other Information
8.0 Chemical Properties
colorless to light yellow liquid
8.1 Uses
2-Aminoquinoline is a useful research chemical.
8.2 Synthesis Reference(s)
The Journal of Organic Chemistry, 72, p. 4554, 2007 DOI: 10.1021/jo070189y
Tetrahedron Letters, 39, p. 1313, 1998 DOI: 10.1016/S0040-4039(97)10877-2
8.3 Safety Profile
Mutation data reported. Whenheated to decomposition it emits toxic vapors of NOx.
9. 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAQAAAADAiBHgAx8PJIEACgAyZiZACCgCkhAiAImCAwZJiIIOLAkZGEIAhgkALIyCcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
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