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Home> Encyclopedia > Hot Product Listed 5   > 5-Bromo-6-methylisoquinoline
1146298-61-4 structure

5-Bromo-6-methylisoquinoline

Iupac Name:5-bromo-6-methylisoquinoline
CAS No.:1146298-61-4
Molecular Weight:222.085
Molecular Formula:C10H8BrN (isomer)
Names and Identifiers
Synonyms

5-bromo-6-methyl-isoquinoline AB0070448 AJ-85364 AX8161700 DTXSID60653793 fch1392070 HE047998 I08-0372 Isoquinoline, 5-broMo-6-Methyl- MOLPORT-008-424-386 S14-1981 SC-34076 SCHEMBL15201623 TC-069581 ZINC32501166 zx-rl001713

Inchi
InChI=1S/C10H8BrN/c1-7-2-3-8-6-12-5-4-9(8)10(7)11/h2-6H,1H3
InChkey
CAZBCNFFPBHCRW-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C2=C(C=C1)C=NC=C2)Br
Properties
Density
1.488
Boiling Point
324 oC
Flash Point
150 oC
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:222.085g/mol
  • Molecular Formula:C10H8BrN
  • Compound Is Canonicalized:True
  • Exact Mass:220.984
  • Monoisotopic Mass:220.984
  • Complexity:160
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12.9A^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: AAADccByAAAAEAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHABAAAABrADBGgQ+gNIIEACg AjBnRACCgCAxAiQI2CA4ZLgIIOLAkZGEIAhggADIyhcQgMAOwAACEAAQgACAAAQgACEAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61723543
  • Fax:86-21-33250189
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