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Home> Hot Product Listed A   > AK220043
6188-23-4 structure

AK220043

Iupac Name:6-bromoimidazo[1,2-a]pyridine
CAS No.:6188-23-4
Molecular Weight:197.035
Molecular Formula:C7H7N3S (isomer)
Names and Identifiers
Synonyms

AKOS024435500 diethyl 4-(3-bromo-1-benzothien-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate diethyl 4-(3-bromobenzo[b]thiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate MCULE-7634708996 ZINC25695180

Inchi
InChI=1S/C7H5BrN2/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H
InChkey
FXPMFQUOGYGTAM-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=NC=CN2C=C1Br
Properties
Melting Point
76-78℃
Refractive Index
1.688
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S22;S26;S36/37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 6188-23-4 EC: AK220043 ·ECHA C&L Inventory for CAS: CAS: 6188-23-4 EC: AK220043
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)

H302 Harmful if swallowed

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:197.035g/mol
  • Molecular Formula:C7H7N3S
  • Compound Is Canonicalized:True
  • Exact Mass:195.964
  • Monoisotopic Mass:195.964
  • Complexity:129
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.3A^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: AAADcYBjAAAAEAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB4AAAHABAAAABqADBEwQ9sJ8MGACg ADJnZACCgC0xEqQJ2CA4dLiIaOLAmZGUIAhogALIyjYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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