4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid | CAS No. 861382-63-0

4-Bromo-5-methyl-1H-pyrazole-3-carboxylic acid

Basic Information

CAS Number

861382-63-0

Molecular Formula

C5H5BrN2O2

Molecular Weight

205.01 g/mol

AD

Basic Physical Properties

Melting Point

280-285 °C

Boiling Point

410.8°Cat760mmHg

Density

1.934

Flash Point

410.8°Cat760mmHg

Refractive Index

1.64

OC(=O)c1[nH]nc(c1Br)C

InChI

InChI=1S/C5H5BrN2O2/c1-2-3(6)4(5(9)10)8-7-2/h1H3,(H,7,8)(H,9,10)

InChIKey

XIZPNSLYWMMPNI-UHFFFAOYSA-N

LogP

1.17882

Topological Polar Surface Area

65.97999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

153

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8°C

Synonyms & References

English

  • 4-bromo-5-methyl-1H-pyrazole-3-carboxylic acid
  • 4-bromo-3-methyl-1H-pyrazole-5-carboxylic acid
  • NSC215265
  • bromomethylpyrazolecarboxylicacid
  • STK943184
  • BBL011308
  • SBB081389
  • RP11927
  • AB0155730
  • 4-bromo-3-methylpyrazole-5-carboxylic acid
  • Z2830
  • EN300-
  • 5-methyl-4-brompyrazole-3-carboxylic acid

MDL Number

MFCD06808784

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