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Home> Hot Product Listed B   > BAS 00457665
99-93-4 structure

BAS 00457665

CAS No.:99-93-4
Molecular Weight:136.14792
Molecular Formula:C11H6N4OS (isomer)
Names and Identifiers
Synonyms

5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,2,3,5,6-pentahydrobenzo[a]phenanthridi n-4-one 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,5,6-tetrahydro-1h-benzo[a]phenanthridin-4-one 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1h)-one AB00086876-01 AG-690/12868113 AKOS000605326 AKOS024304371 BG01741543 MOLPORT-001-933-790 OPREA1_386464 OPREA1_733416 ST50230366 STOCK1S-15981

Inchi
InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
InChkey
TXFPEBPIARQUIG-UHFFFAOYSA-N
Properties
Melting Point
107-111℃
Refractive Index
1.55773 (109 C)
HS Code
29145000
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S26;S37/39
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2017
Symrise AG 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:136.14792g/mol
  • Molecular Formula:C11H6N4OS
  • XLogP3-AA:1.4
  • Exact Mass:136.05243
  • Monoisotopic Mass:136.05243
  • Complexity:123
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • 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
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Recommended Suppliers
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  • Tel:86-571-85829152
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  • Tel:86-27-83214668
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  • Tel:025-5216-2509
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