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Home> Hot Product Listed 1   > 1H-Azepine-1-propanol, a-(3-fluoro-4-methoxyphenyl)hexahydro-b-phenyl-, hydrochloride (1:1)
7727-37-9 structure

1H-Azepine-1-propanol, a-(3-fluoro-4-methoxyphenyl)hexahydro-b-phenyl-, hydrochloride (1:1)

Iupac Name:molecular nitrogen
CAS No.:7727-37-9
EINECS(EC#): 248-579-0
Molecular Weight:28.014
Molecular Formula:C8H2CL2O3 (isomer)
Names and Identifiers
Synonyms

1H-Azepine-1-propanol,a-(3-fluoro-4-methoxyphenyl)hexahydro-b-phenyl-, hydrochloride (9CI)

Inchi
InChI=1S/N2/c1-2
InChkey
IJGRMHOSHXDMSA-UHFFFAOYSA-N
Canonical Smiles
N#N
Properties
Density
1.234
Melting Point
-210℃
Boiling Point
486.4°C at 760 mmHg
Flash Point
154.9°C
HS Code
2804300000
Safety and Handling
Safety Statements
S38
HazardClass
2.2
Hazard Note
H280
PackingGroup
O53
Transport
UN 1066/1977
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Gases under pressure: Compressed gas

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H280 Contains gas under pressure; may explode if heated

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:28.014g/mol
  • Molecular Formula:C8H2CL2O3
  • Compound Is Canonicalized:True
  • Exact Mass:28.006
  • Monoisotopic Mass:28.006
  • Complexity:8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:47.6A^2
  • Heavy Atom Count:2
  • 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: AAADcQADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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