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Home> Hot Product Listed A   > AKOS B028876
3476-89-9 structure

AKOS B028876

Iupac Name:1,2,3,4-tetrahydroquinoxaline
CAS No.:3476-89-9
Molecular Weight:134.182
Molecular Formula:C15H14INO2 (isomer)
Names and Identifiers
Synonyms

2-(4-FORMYL-2-METHOXYPHENOXY)ETHYL ACETATE ACETIC ACID2-(4-FORMYL-2-METHOXY-PHENOXY)-ETHYL ESTER ART-CHEM-BB B028876 CHEMBRDG-BB 7423058

Inchi
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H2
InChkey
HORKYAIEVBUXGM-UHFFFAOYSA-N
Canonical Smiles
C1CNC2=CC=CC=C2N1
Properties
Density
1.04
Melting Point
92-98?°C
Refractive Index
1.544
Flash Point
252.52°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36/37/39
Transport
UN 2811 6.1/PG 3
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 3476-89-9 EC: AKOS B028876 ·ECHA C&L Inventory for CAS: CAS: 3476-89-9 EC: AKOS B028876
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:134.182g/mol
  • Molecular Formula:C15H14INO2
  • Compound Is Canonicalized:True
  • Exact Mass:134.084
  • Monoisotopic Mass:134.084
  • Complexity:99.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:24.1A^2
  • Heavy Atom Count:10
  • 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAAQAAAACAjBEAQwwILAAACA ACRCQACCAAAhAgAIiIAIdIgIYCLAkZGUIAhgkADIyAcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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