CAS No.1822-25-9,1-BROMO-3-(BROMOMETHYL)ADAMANTANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1822-25-9
Name:	1-BROMO-3-(BROMOMETHYL)ADAMANTANE

Formula:	C₁₁H₁₆Br₂
Molecular Weight:	308.056
Synonyms:	Adamantane,1-bromo-3-(bromomethyl)- (7CI,8CI);1-Bromo-3-(bromomethyl)adamantane;
Density:	1.734 g/cm³
Melting Point:	105-108 °C(lit.)
Boiling Point:	312.1 °C at 760 mmHg
Flash Point:	164.3 °C
PSA:	0.00000
LogP:	4.11520

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Specification

The CAS register number of 1-Bromo-3-(bromomethyl)adamantane is 1822-25-9. It also can be called as Tricyclo[3.3.1.13,7]decane,1-bromo-3-(bromomethyl)- and the systematic name about this chemical is 1-bromo-3-(bromomethyl)tricyclo[3.3.1.13,7]decane. The molecular formula about this chemical is C₁₁H₁₆Br₂ and the molecular weight is 308.05. It belongs to the following product categories which include Alkyl; Halogenated Hydrocarbons; Organic Building Blocks and so on.

Physical properties about 1-Bromo-3-(bromomethyl)adamantane are: (1)ACD/LogP: 4.45; (2)ACD/LogD (pH 5.5): 4.45; (3)ACD/LogD (pH 7.4): 4.45; (4)ACD/BCF (pH 5.5): 1424.2; (5)ACD/BCF (pH 7.4): 1424.2; (6)ACD/KOC (pH 5.5): 6293.96; (7)ACD/KOC (pH 7.4): 6293.96; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.618; (10)Molar Refractivity: 62.23 cm³; (11)Molar Volume: 177.5 cm³; (12)Polarizability: 24.67x10^-24cm³; (13)Surface Tension: 51.7 dyne/cm; (14)Enthalpy of Vaporization: 53.1 kJ/mol; (15)Boiling Point: 312.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000994 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC12CC3CC(Br)(C1)CC(C2)C3
(2)InChI: InChI=1/C11H16Br2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7H2
(3)InChIKey: SKQVGBXLHPBGHY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H16Br2/c12-7-10-2-8-1-9(3-10)5-11(13,4-8)6-10/h8-9H,1-7H2
(5)Std. InChIKey: SKQVGBXLHPBGHY-UHFFFAOYSA-N