CAS No.14985-44-5,8-Bromo-2'-deoxyadenosine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14985-44-5
Name:	8-Bromo-2'-deoxyadenosine
Article Data:	30

Formula:	C₁₀H₁₂BrN₅O₃
Molecular Weight:	330.141
Synonyms:	19: PN:US20050059037 SEQID: 31 claimed DNA;8-Bromo-2'-deoxyadenosine;8-Bromo-9-(2'-deoxyribofuranosyl)adenine;8-Bromodeoxyadenosine;NSC 79220;
EINECS:	200-001-2
Density:	2.3 g/cm³
Melting Point:	202 °C
Boiling Point:	671 °C at 760 mmHg
Flash Point:	359.6 °C
Hazard Symbols:	T
Risk Codes:	24-46-63
Safety:	36-45-53
PSA:	119.31000
LogP:	0.39290

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Specification

The 8-Bromo-2'-deoxyadenosine, with the CAS registry number 14985-44-5, is also known as 2'-Deoxy-8-bromoadenosine. This chemical's molecular formula is C₁₀H₁₂BrN₅O₃ and molecular weight is 330.13798. Its IUPAC name is called (2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Physical properties of 8-Bromo-2'-deoxyadenosine: (1)ACD/LogP: -0.24; (2)ACD/LogD (pH 5.5): -0.24; (3)ACD/LogD (pH 7.4): -0.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.64; (7)ACD/KOC (pH 7.4): 17.66; (8)#H bond acceptors: 8; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.898; (12)Molar Refractivity: 66.66 cm³; (13)Molar Volume: 143.4 cm³; (14)Surface Tension: 97.4 dyne/cm; (15)Density: 2.3 g/cm³; (16)Flash Point: 359.6 °C; (17)Enthalpy of Vaporization: 103.57 kJ/mol; (18)Boiling Point: 671 °C at 760 mmHg; (19)Vapour Pressure: 6.41E-19 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is toxic in contact with skin. In addition, it may cause heritable genetic damage. Whenever you will contact it, please wear suitable protective clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(OC1N2C3=C(C(=NC=N3)N)N=C2Br)CO)O
(2)Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=NC=N3)N)N=C2Br)CO)O
(3)InChI: InChI=1S/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1
(4)InChIKey: NJBIVXMQFIQOGE-KVQBGUIXSA-N