8-Bromoadenine supplier | CasNO.6974-78-3

Name
8-BROMOADENINE
EINECS 230-225-1
CAS No. 6974-78-3
Article Data18
CAS DataBase
Density 2.14 g/cm³
Solubility
Melting Point >250℃
Formula C₅H₄N₅Br
Boiling Point 497.5 °C at 760 mmHg
Molecular Weight 214.024
Flash Point 254.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1H-Purin-6-amine,8-bromo- (9CI);Adenine, 8-bromo- (7CI,8CI);6-Amino-8-bromopurine;8-Bromo-9H-purin-6-amine;8-Bromoadenine;NSC 21697;
PSA 80.48000
LogP 1.27880

8-Bromoadenine Specification

The CAS register number of 8-Bromoadenine is 6974-78-3. It also can be called as 9H-Purin-6-amine,8-bromo- and the IUPAC name about this chemical is 8-bromo-7H-purin-6-amine. The molecular formula about this chemical is C₅H₄N₅Br and the molecular weight is 214.02. It belongs to the Nucleotides and Nucleic Acids. This chemical can affect DNA repair and it can be used for biochemical research.

Physical properties about 8-Bromoadenine are: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 1.04; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 35.47; (7)ACD/KOC (pH 7.4): 16.46; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)Polar Surface Area: 46.84Å²; (11)Index of Refraction: 1.851; (12)Molar Refractivity: 44.72 cm³; (13)Molar Volume: 100 cm³; (14)Polarizability: 17.73x10^-24cm³; (15)Surface Tension: 117.8 dyne/cm; (16)Flash Point: 254.7 °C; (17)Enthalpy of Vaporization: 76.55 kJ/mol; (18)Boiling Point: 497.5 °C at 760 mmHg; (19)Vapour Pressure: 4.92E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2nc1ncnc(c1n2)N
(2)InChI: InChI=1/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
(3)InChIKey: FVXHPCVBOXMRJP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
(5)Std. InChIKey: FVXHPCVBOXMRJP-UHFFFAOYSA-N

Product Name

8-BROMOADENINE

8-Bromoadenine Specification

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