3,5-Dibromoisonicotinic acid supplier

Name
3,5-Dibromopyridine-4-carboxylic acid
EINECS
CAS No. 13958-91-3
Article Data3
CAS DataBase
Density 2.202 g/cm³
Solubility
Melting Point 62-64℃
Formula C₆H₃Br₂NO₂
Boiling Point 409.99 °C at 760 mmHg
Molecular Weight 280.903
Flash Point 201.755 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36/37/38-43
Molecular Structure
Hazard Symbols Xn
Synonyms Isonicotinicacid, 3,5-dibromo- (6CI,8CI);3,5-Dibromoisonicotinic acid;
PSA 50.19000
LogP 2.30480

3,5-Dibromoisonicotinic acid Specification

The product is an organic compound with the formula C₆H₃Br₂NO₂. The systematic name of this chemical is 3,5-dibromopyridine-4-carboxylic acid. With the CAS registry number 13958-91-3, it is also named as 3,5-Dibromoisonicotinic acid. In addition, the molecular weight is 280.9015.

The other characteristics of 3,5-Dibromopyridine-4-carboxylic acid can be summarized as: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å²; (11)Index of Refraction: 1.652; (12)Molar Refractivity: 46.654 cm³; (13)Molar Volume: 127.556 cm³; (14)Polarizability: 18.495×10^-24 cm³; (15)Surface Tension: 66.708 dyne/cm; (16)Density: 2.202 g/cm³; (17)Flash Point: 201.755 °C; (18)Enthalpy of Vaporization: 69.829 kJ/mol; (19)Boiling Point: 409.99 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c1c(Br)cncc1Br
2. InChI:InChI=1/C6H3Br2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
3. InChIKey:LRKLXFGPVUZEDK-UHFFFAOYAY
4. Std. InChI:InChI=1S/C6H3Br2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
5. Std. InChIKey:LRKLXFGPVUZEDK-UHFFFAOYSA-N

Product Name

3,5-Dibromopyridine-4-carboxylic acid

3,5-Dibromoisonicotinic acid Specification

Related Products

Hot Products