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Home> Hot Product Listed A   > AKOS027425312
1670-81-1 structure

AKOS027425312

Iupac Name:1H-indole-5-carboxylic acid
CAS No.:1670-81-1
Molecular Weight:161.16
Molecular Formula:C11H17F (isomer)
Names and Identifiers
Synonyms

2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzaldehyde AK478609

Inchi
InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
InChkey
IENZCGNHSIMFJE-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=CN2)C=C1C(=O)O
Properties
Melting Point
211-213 °C(lit.)
Vapour
8.6E-08mmHg at 25°C
Refractive Index
1.5050 (estimate)
HS Code
29339990
Safety and Handling
Risk Statements
36/37/38-21/22
Safety Statements
22-24/25-36/37/39-26
HazardClass
IRRITANT
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1670-81-1 EC: AKOS027425312 ·ECHA C&L Inventory for CAS: CAS: 1670-81-1 EC: AKOS027425312
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:161.16g/mol
  • Molecular Formula:C11H17F
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.5
  • Exact Mass:161.048
  • Monoisotopic Mass:161.048
  • Complexity:193
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:53.1A^2
  • Heavy Atom Count:12
  • 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: AAADcYByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAjBngQ8yPLJkgCo AzT3TACCgCA1AiAI2aE4bNgIJvLAlZGEcQhk0AHI2YeY2eOeCAACAAACAAAQAAQAAAQAAAAAAAAA AA==
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