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Benzenamine,3-methyl-4-(3-pyridazinyloxy)- structure
Benzenamine,3-methyl-4-(3-pyridazinyloxy)- structure

Benzenamine,3-methyl-4-(3-pyridazinyloxy)-

Iupac Name:quinolin-8-ol
CAS No.: 148-24-3
Molecular Weight:145.15798
Modify Date.: 2022-04-08 09:07
1. Names and Identifiers
1.1 Name
Benzenamine,3-methyl-4-(3-pyridazinyloxy)-
1.2 Synonyms

3-methyl-4-(3-pyridazinyloxy)aniline 3-methyl-4-(pyridazin-3-yloxy)aniline 3-methyl-4-[(pyridazin-3-yl)oxy]aniline AK464877 AKOS017549089 benzenamine, 3-methyl-4-(3-pyridazinyloxy)- benzenamine, 3-methyl-4-(3-pyridazinyloxy)- (9ci) CTK5F7787 DTXSID90668491 HE399402 HIPWONLNEDIBDA-UHFFFAOYSA-N KB-288096 ZINC39118780

1.3 CAS No.
148-24-3
1.4 CID
1923
1.5 Molecular Formula
C5H11BO2 (isomer)
1.6 Inchi
InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
1.7 InChkey
MCJGNVYPOGVAJF-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC2=C(C(=C1)O)N=CC=C2
1.9 Isomers Smiles
C1=CC2=C(C(=C1)O)N=CC=C2
2. Properties
3.1 Density
1.144
3.1 Melting point
70-74℃
3.1 Refractive index
1.4500 (estimate)
3.1 Flash Point
151.4°C
3.1 Vapour pressure
0.00 mmHg
3.1 Precise Quality
145.05300
3.1 PSA
33.12000
3.1 logP
1.94040
3. Safety and Handling
4.1 Symbol
GHS07;
4.1 Signal Word
Warning
4.1 Risk Statements
R22;R36/37/38;R68
4.1 Safety Statements
S26;S36/37/39;S45
4.1 Packing Group
III
4.1 Hazard Class
9
4.1 Hazard Declaration
H302
4.1 RIDADR
OTH
4.1 WGK Germany
3
4.1 RTECS
VC4200000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 145.15798g/mol
  • Molecular Formula: C5H11BO2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 145.052763847
  • Monoisotopic Mass: 145.052763847
  • Complexity: 138
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 33.1
  • 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: AAADcYByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAACAAADAzBngQ8xvIIEgCgAzRnRASCgCAxYiAI2CA/bJgKJuLSkZOEcAhkwBHY2AeQwLAOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==
6. Question & Answer
  • 8-Hydroxyquinoline is an organic compound with the formula C9H7NO. It is a derivative of the heterocycle quinoline by placement of an OH group on carbon number 8. This light yellow compound is widely used to synthetize substituted quinoline products. The following example is about its application o...
8. Realated Product Infomation