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Home> Hot Product Listed B   > Benzenamine, 3-bromo-, hydrochloride
974-23-2 structure

Benzenamine, 3-bromo-, hydrochloride

CAS No.:974-23-2
Molecular Weight:330.468
Molecular Formula:C14H14O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
InChkey
UQVIXFCYKBWZPJ-XXHSLLPRSA-N
Canonical Smiles
CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
Properties
Refractive Index
1.577
Flash Point
116.6 ºC
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:330.468g/mol
  • Molecular Formula:C14H14O4
  • Compound Is Canonicalized:True
  • Exact Mass:330.219
  • Monoisotopic Mass:330.219
  • Complexity:639
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.8A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:8
  • 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: AAADceB4MAAAAAAAAAAAAAAAEgAAAYAAAAA0YIEAAAAAAGCAAAAAGgAACAAAD1SggAICAAAABgCI AqBSAAIAAAAgAAAACAFAAAgAEBYAAQQCQAAE4AAIAAOIyPCPgAAAAAAAAADAAAQAACAAAYAADAAA AA==
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