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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrrolidinecarboxamide,1-methyl-N-[2-(2,3,4-tribromo-5-methoxyphenyl)ethyl]-, (2S)-
486-25-9 structure

2-Pyrrolidinecarboxamide,1-methyl-N-[2-(2,3,4-tribromo-5-methoxyphenyl)ethyl]-, (2S)-

Iupac Name:fluoren-9-one
CAS No.:486-25-9
Molecular Weight:180.20202
Molecular Formula:C4H6N2O2S (isomer)
Names and Identifiers
Synonyms

2-Pyrrolidinecarboxamide,1-methyl-N-[2-(2,3,4-tribromo-5-methoxyphenyl)ethyl]-, (S)- Amathamide D

Inchi
InChI=1/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChkey
YLQWCDOCJODRMT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
Properties
Density
1.069
Melting Point
81-85℃
Vapour
8.01E-05mmHg at 25°C
Refractive Index
1.6309 (99 C)
HS Code
29143900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
HazardClass
4.1
PackingGroup
II; III
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

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:180.20202g/mol
  • Molecular Formula:C4H6N2O2S
  • XLogP3-AA:3.6
  • Exact Mass:180.057515
  • Monoisotopic Mass:180.057515
  • Complexity:222
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:14
  • 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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