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5-Pyrimidinylboronic acid(CAS No. 109299-78-7)

5-Pyrimidinylboronic acid C4H5BN2O2 (cas 109299-78-7) Molecular Structure

109299-78-7 Structure

Identification and Related Records

【Name】
5-Pyrimidinylboronic acid
【Iupac name】
pyrimidin-5-ylboronic acid
【CAS Registry number】
109299-78-7
【Synonyms】
Boronic acid, B-5-pyrimidinyl-
pyrimidin-5-ylboronic acid
【Molecular Formula】
C4H5BN2O2 (Products with the same molecular formula)
【Molecular Weight】
123.91
【Inchi】
InChI=1/C4H5BN2O2/c8-5(9)4-1-6-3-7-2-4/h1-3,8-9H
【Canonical SMILES】
B(C1=CN=CN=C1)(O)O
【MOL File】
109299-78-7.mol

Chemical and Physical Properties

【Appearance】
off-white powder
【Density】
1.33 g/cm3
【Melting Point】
110-114℃
【Boiling Point】
334.7 °Cat760mmHg
【Vapour】
4.95E-05mmHg at 25°C
【Refractive Index】
1.534
【Flash Point】
156.2 °C
【Computed Properties】
Molecular Weight:123.9057 [g/mol]
Molecular Formula:C4H5BN2O2
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:124.044408
MonoIsotopic Mass:124.044408
Topological Polar Surface Area:66.2
Heavy Atom Count:9
Formal Charge:0
Complexity:84.6
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R22;R36/37/38
【Safety Statements 】
S22;S26;S36/37/39
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】

Hazard Codes: IrritantXi, HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-26-36/37/39-36 
S22:Do not breathe dust. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S36:Wear suitable protective clothing.
Hazard Note: Irritant
HazardClass: IRRITANT

【Specification】

 5-Pyrimidinylboronic acid (CAS NO.109299-78-7) is also named as Acide pyrimidin-5-ylboronique ; boronic acid, B-5-pyrimidinyl- ; Pyrimidin-5-ylboronic acid ; Pyrimidine-5-boronic acid . 5-Pyrimidinylboronic acid (CAS NO.109299-78-7) is off-white powder.

Supplier Location

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