2-Pyrazinecarboxylicacid, 5-amino-6-bromo- supplier

Name
2-Amino-3-bromopyrazine-5-carboxylic Acid
EINECS
CAS No. 887352-34-3
Density 2.039 g/cm³
Solubility
Melting Point >250°C (dec.)
Formula C₅H₄BrN₃O₂
Boiling Point 429.4 °C at 760 mmHg
Molecular Weight 218.01
Flash Point 213.5 °C
Transport Information
Appearance pale yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinecarboxylicacid, 5-amino-6-bromo- (9CI);
PSA 89.10000
LogP 1.10070

2-Pyrazinecarboxylicacid, 5-amino-6-bromo- Specification

The 2-Pyrazinecarboxylicacid, 5-amino-6-bromo-, with the CAS registry number 887352-34-3, is also known as 2-Amino-3-bromopyrazine-5-carboxylic acid. This chemical's molecular formula is C₅H₄BrN₃O₂ and molecular weight is 218.01. What's more, its systematic name is 5-Amino-6-bromopyrazine-2-carboxylic acid.

Physical properties about 2-Pyrazinecarboxylicacid, 5-amino-6-bromo- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -2.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.32 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 41.29 cm³; (15)Molar Volume: 106.8 cm³; (16)Polarizability: 16.36×10^-24 cm³; (17)Surface Tension: 95.4 dyne/cm; (18)Density: 2.039 g/cm³; (19)Flash Point: 213.5 °C; (20)Enthalpy of Vaporization: 72.17 kJ/mol; (21)Boiling Point: 429.4 °C at 760 mmHg; (22)Vapour Pressure: 3.9E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1nc(C(=O)O)cnc1N
(2) InChI: InChI=1/C5H4BrN3O2/c6-3-4(7)8-1-2(9-3)5(10)11/h1H,(H2,7,8)(H,10,11)
(3) InChIKey: ZWJHDIXBWPBYGD-UHFFFAOYAU

Product Name

2-Amino-3-bromopyrazine-5-carboxylic Acid

2-Pyrazinecarboxylicacid, 5-amino-6-bromo- Specification

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