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Home> Encyclopedia > Hot Product Listed 2   > 2-Pyrimidinecarboxamide,5-amino-
30766-11-1 structure

2-Pyrimidinecarboxamide,5-amino-

Iupac Name:5-bromopyridine-2-carboxylic acid
CAS No.:30766-11-1
Molecular Weight:202.00546
Molecular Formula:C6H8N2O2S (isomer)
Names and Identifiers
Synonyms

5-Amino-pyrimidine-2-carboxylicacidamide

Inchi
InChI=1/C6H4BrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)/p-1
Canonical Smiles
C1=CC(=NC=C1Br)C(=O)O
Properties
Density
0.946
Melting Point
173-175°C
Boiling Point
298.6°Cat760mmHg
Flash Point
114°C
HS Code
2933399090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
24/25-36-26
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:202.00546g/mol
  • Molecular Formula:C6H8N2O2S
  • Exact Mass:200.942541
  • Monoisotopic Mass:200.942541
  • Complexity:140
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.2
  • Heavy Atom Count:10
  • 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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