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Home> Hot Product Listed B   > bdbm50136497
903-19-5 structure

bdbm50136497

CAS No.:903-19-5
Molecular Weight:334.53592
Molecular Formula:C12H6CLNO4S2 (isomer)
Names and Identifiers
Synonyms

7-bromo-3,4-dihydro-beta-carboline 7-bromo-4,9-dihydro-3h-beta-carboline 7-bromo-4,9-dihydro-3h-pyrido[3,4-b]indole CHEMBL428999 D0W4TW

Inchi
InChI=1/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3
Canonical Smiles
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O
Properties
Melting Point
130 - 131ºC
Boiling Point
496.5°Cat760mmHg
Refractive Index
1.502
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36/37/39
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 903-19-5 EC: bdbm50136497 ·ECHA C&L Inventory for CAS: CAS: 903-19-5 EC: bdbm50136497
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

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:334.53592g/mol
  • Molecular Formula:C12H6CLNO4S2
  • Exact Mass:334.28718
  • Monoisotopic Mass:334.28718
  • Complexity:369
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:24
  • 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
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