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Home> Hot Product Listed B   > Boronic acid,B-(2-fluoro-5-formylphenyl)-
738-70-5 structure

Boronic acid,B-(2-fluoro-5-formylphenyl)-

Iupac Name:5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CAS No.:738-70-5
Molecular Weight:290.323
Molecular Formula:C9H8BNO2 (isomer)
Properties
Appearance
Off-white Cryst
Melting Point
199-203℃
Boiling Point
368 °C at 760 mmHg
Flash Point
112.5°C
HS Code
29335995
Safety and Handling
Risk Statements
R25
Safety Statements
S45
HazardClass
6.1(b)
PackingGroup
III
Sensitive
Air Sensitive
Transport
3249
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:290.323g/mol
  • Molecular Formula:C9H8BNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.9
  • Exact Mass:290.138
  • Monoisotopic Mass:290.138
  • Complexity:307
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:106A^2
  • Heavy Atom Count:21
  • 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: AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADATBmgY/tpZIFACg AjJnZACCiCkxIKAB2CAuzJiNL6LE+VqENCotwBdK6CeQ4PwOIAABCAAAQABAAAIQAACAAAAAAAAA AA==
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