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Home> Hot Product Listed 4   > 4-amino-2-chloro-pyrimidine-5-carboxylic acid methyl ester
140-95-4 structure

4-amino-2-chloro-pyrimidine-5-carboxylic acid methyl ester

Iupac Name:1,3-bis(hydroxymethyl)urea
CAS No.:140-95-4
Molecular Weight:120.108
Molecular Formula:C9H12BRN (isomer)
Names and Identifiers
Properties
Density
1.428
Melting Point
125℃ (dec.)
Vapour
2.39E-05mmHg at 25°C
Refractive Index
1.561
Safety and Handling
Risk Statements
R45
Safety Statements
S53;S45
Reach Info
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:120.108g/mol
  • Molecular Formula:C9H12BRN
  • Compound Is Canonicalized:True
  • Exact Mass:120.053
  • Monoisotopic Mass:120.053
  • Complexity:66.9
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:81.6A^2
  • Heavy Atom Count:8
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBDMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFgAQCAAAAAAAAAYBAALAAgAI AAAAEAAAAAAAAAAAAIAIAAGAEAAAAAAAAAAIAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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