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Home> Hot Product Listed S   > STOCK5S-33943
38707-70-9 structure

STOCK5S-33943

Iupac Name:quinoline-8-carbaldehyde
CAS No.:38707-70-9
Molecular Weight:157.172
Molecular Formula:C14H10BRF6N3O (isomer)
Names and Identifiers
Synonyms

AC1LXVAN AKOS005510476 c22h16f6n4o2s2 MOLPORT-002-638-907 n-[3,5-bis(trifluoromethyl)phenyl]-2-[[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide n-[3,5-bis(trifluoromethyl)phenyl]-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide STK587632 ZINC2204455

Inchi
InChI=1S/C10H7NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-7H
InChkey
OVZQVGZERAFSPI-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)C=O)N=CC=C2
Properties
Melting Point
95-96℃
Refractive Index
1.687
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 38707-70-9 EC: STOCK5S-33943 ·ECHA C&L Inventory for CAS: CAS: 38707-70-9 EC: STOCK5S-33943
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:157.172g/mol
  • Molecular Formula:C14H10BRF6N3O
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:157.053
  • Monoisotopic Mass:157.053
  • Complexity:169
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:30A^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: AAADcYByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAAAAAADAjhngY8wPIIEACo Azx3xACCgCA1AiAI2CE4ZNgIIPrAlZGEIYhggADIyccYiMCOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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