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Home> Hot Product Listed 1   > 1H-Pyrazole-3-carboxylicacid,4,4'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis[4,5-dihydro-5-oxo-1-(4-sulf...
657-27-2 structure

1H-Pyrazole-3-carboxylicacid,4,4'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,sodium salt (9CI)

Iupac Name:(2S)-2,6-diaminohexanoic acid;hydrochloride
CAS No.:657-27-2
Molecular Weight:182.64800
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

4,4'-((1,1'-Biphenyl)-4,4'-diyldiazo)bis(4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic) acid, sodium salt 4,4'-[[1,1'-Biphenyl]-4,4'-diylbis(azo)]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid]/sodium,(1:x) salt 4,4'-[[1,1'-biphenyl]-4,4'-diyldiazo]bis[4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic] acid, sodium salt

Inchi
InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
InChkey
BVHLGVCQOALMSV-JEDNCBNOSA-N
Canonical Smiles
C(CCN)CC(C(=O)O)N.Cl
Isomers Smiles
C(CCN)C[C@@H](C(=O)O)N
Properties
Density
1.296
Melting Point
263°C (dec.)(lit.)
Boiling Point
634°Cat760mmHg
Flash Point
253.9°C
Alpha
21 o (C=8, 6N HCL)
HS Code
29224100
Safety and Handling
Risk Statements
R34
Safety Statements
S26-S36/37/39-S45-S24/25
Transport
UN 1789 8/PG 3
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
AJINOMOTO Eurolysine 2010
more >
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:182.64800g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:182.082
  • Monoisotopic Mass:182.082
  • Complexity:106
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:89.3A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBjMAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAI AACQCAAAAAAAAAAAAIGAAAACABIAgAAAQAAEEAAAAAGYSAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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