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Home> Hot Product Listed 7   > 7-Chloro-3,4-dihydro-3-methyl-1H-2,3-benzoxazine
475-83-2 structure

7-Chloro-3,4-dihydro-3-methyl-1H-2,3-benzoxazine

Iupac Name:(8R)-1,2-dimethoxy-7-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,
g]quinoline
CAS No.:475-83-2
Molecular Weight:295.37554
Molecular Formula:C7H5N3O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3
Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC
Isomers Smiles
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC
Properties
Density
1.34
Melting Point
165.5°C
Boiling Point
308.4°C at 760 mmHg
Vapour
1.27E-07mmHg at 25°C
Refractive Index
1.596
Flash Point
196.7°C
HS Code
29389090
Safety and Handling
Safety Statements
24/25
Transport
UN 1544PSN1 6.1 / PGIII
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:295.37554g/mol
  • Molecular Formula:C7H5N3O2
  • Exact Mass:295.157229
  • Monoisotopic Mass:295.157229
  • Complexity:401
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:21.7
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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