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Home> Hot Product Listed T   > T6627280
1533-45-5 structure

T6627280

CAS No.:1533-45-5
Molecular Weight:414.45472
Molecular Formula:C19H18N6O2 (isomer)
Names and Identifiers
Synonyms

3,4-dimethyl-5-[(1-methyl-1h-pyrazol-3-yl)sulfamoyl]benzoic acid 3,4-dimethyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid AKOS009041187 MCULE-4776141894 MOLPORT-009-138-163 Z123605602 ZINC16978448

Inchi
InChI=1/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9+
Canonical Smiles
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5
Isomers Smiles
C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)C5=NC6=CC=CC=C6O5
Properties
Melting Point
357-359℃
Vapour
2.79E-12mmHg at 25°C
Refractive Index
1.731
HS Code
29349990
Safety and Handling
Risk Statements
R36/37/38
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 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
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:414.45472g/mol
  • Molecular Formula:C19H18N6O2
  • Exact Mass:414.136828
  • Monoisotopic Mass:414.136828
  • Complexity:583
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:52.1
  • Heavy Atom Count:32
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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