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Home> Hot Product Listed T   > T5244656
2398-37-0 structure

T5244656

Iupac Name:1-bromo-3-methoxybenzene
CAS No.:2398-37-0
Molecular Weight:187.036
Molecular Formula:C9H12N2O2S (isomer)
Names and Identifiers
Synonyms

1-(4-phenylpiperazin-1-yl)-2-(2-propyl-1,3-benzodiazol-1-yl)ethanone 1-(4-phenylpiperazin-1-yl)-2-(2-propyl-1h-1,3-benzodiazol-1-yl)ethan-1-one 1-(4-phenylpiperazin-1-yl)-2-(2-propylbenzimidazol-1-yl)ethanone AB00724498-01 AC1N0MLI MCULE-5253120387 MOLPORT-004-041-069 sr-01000053130 SR-01000053130-1 Z13657770 ZINC6566978

Inchi
InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChkey
PLDWAJLZAAHOGG-UHFFFAOYSA-N
Canonical Smiles
COC1=CC(=CC=C1)Br
Properties
Melting Point
2℃
Vapour
0.278mmHg at 25°C
Refractive Index
1.563-1.565
HS Code
29093038
Safety and Handling
Safety Statements
S24/25
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

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

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

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:187.036g/mol
  • Molecular Formula:C9H12N2O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:3
  • Exact Mass:185.968
  • Monoisotopic Mass:185.968
  • Complexity:85
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:9.2A^2
  • Heavy Atom Count:9
  • 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: AAADcYBgIAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBAAAABqASAkAIyBoAABACA ACBCAAACCAAgIAQIiAAGCKgMJiKEMRqAMCAkwBEIqheAQAAAAAAAAIAAAAAAAAABAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:+86-574-26889102
  • Fax:+86-574-26889101
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
 
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