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Home> Hot Product Listed A   > AKOS009188835
494-19-9 structure

AKOS009188835

Iupac Name:6,11-dihydro-5H-benzo[b][1]benzazepine
CAS No.:494-19-9
Molecular Weight:195.25972
Molecular Formula:C12H9CLF4O4 (isomer)
Names and Identifiers
Synonyms

3,5-difluoro-n-(2-methylbutyl)aniline

Inchi
InChI=1/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
InChkey
ZSMRRZONCYIFNB-UHFFFAOYSA-N
Canonical Smiles
C1CC2=CC=CC=C2NC3=CC=CC=C31
Properties
Melting Point
105-108℃
Vapour
0.000199mmHg at 25°C
Refractive Index
1.602
HS Code
29339930
Safety and Handling
Risk Statements
R36
Safety Statements
S26;S39
Transport
25kgs
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Novartis International Pharmaceutical ltd., Branch Ireland 2010
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

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

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

Computational chemical data
  • Molecular Weight:195.25972g/mol
  • Molecular Formula:C12H9CLF4O4
  • Exact Mass:195.104799
  • Monoisotopic Mass:195.104799
  • Complexity:191
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12
  • Heavy Atom Count:15
  • 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
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Recommended Suppliers
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