ChemicalBook--->CAS DataBase List--->100707-39-9

100707-39-9

100707-39-9 Structure

100707-39-9 Structure
IdentificationBack Directory
[Name]

5-Bromo-2-methyl-4-pyrimidinecarboxylic acid
[CAS]

100707-39-9
[Synonyms]

2-Methyl-5-bromopyrimidine-4-carboxylicaci
5-Bromo-2-methylpyrimidin-4-carboxylic acid
5-Bromo-2-methylpyrimidine-4-carboxylic acid
4-PyriMidinecarboxylic acid, 5-broMo-2-Methyl-
5-Bromo-2-methyl-4-pyrimidinecarboxylic acid ISO 9001:2015 REACH
[Molecular Formula]

C6H5BrN2O2
[MDL Number]

MFCD00466678
[MOL File]

100707-39-9.mol
[Molecular Weight]

217.02
Chemical PropertiesBack Directory
[Melting point ]

172-173 °C (decomp)(Solv: methanol (67-56-1))
[Boiling point ]

335.2±27.0 °C(Predicted)
[density ]

1.795±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

1.53±0.10(Predicted)
[Appearance]

Light yellow to brown Solid
[InChI]

InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11)
[InChIKey]

MDERWSRHRJUWNS-UHFFFAOYSA-N
[SMILES]

C1(C)=NC=C(Br)C(C(O)=O)=N1
Questions And AnswerBack Directory
[Uses]

2-Methyl-5-bromopyrimidine-4-carboxylic acid is a useful research chemical used in organic synthesis and other chemical processes. Pyrimidine compounds are widely found in the human body and other organisms, and the development of these compounds has always been of great interest to the pharmaceutical and pesticide industries.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-2-methyl-4-pyrimidinecarboxylic acid(100707-39-9)1HNMR
Hazard InformationBack Directory
[References]

[1] Patent: WO2011/130628, 2011, A1. Location in patent: Page/Page column 176
[2] Patent: US2013/102595, 2013, A1. Location in patent: Paragraph 0364; 0365
[3] Patent: JP2015/187145, 2015, A. Location in patent: Paragraph 0319
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