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Name |
1-Bromoadamantane |
EINECS | 212-200-7 |
CAS No. | 768-90-1 | Density | 1.448 g/cm3 |
PSA | 0.00000 | LogP | 3.35010 |
Solubility | insoluble in water | Melting Point |
116-118 °C |
Formula | C10H15Br | Boiling Point | 240.5 °C at 760 mmHg |
Molecular Weight | 215.133 | Flash Point | 96.4 °C |
Transport Information | N/A | Appearance | white to almost white crystals or cryst. powder |
Safety | 22-24/25-36-26 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
1-Adamantyl bromide;1-Bromotricyclo(3.3.1.13,7)decane;Tricyclo[3.3.1.13, 7]decane, 1-bromo-;Adamantane, 1-bromo-;Adamantyl bromide;1-Bromo adamantane;1-Bromotricyclo[3.3.1.13,7]decane; |
Article Data | 124 |
Conditions | Yield |
---|---|
With iron(III)-acetylacetonate; carbon tetrabromide at 120℃; for 2h; Sealed tube; Inert atmosphere; | 99% |
With hydrogen bromide at 130℃; for 2h; | 90% |
With boron tribromide for 0.5h; | 86% |
Conditions | Yield |
---|---|
With iron(III)-acetylacetonate; carbon tetrabromide Reagent/catalyst; Sealed tube; Inert atmosphere; | A 99% B 23% |
With bromine; iron at 0 - 50℃; for 3h; | A n/a B 93% |
With iodine(I) bromide In tetrachloromethane for 3h; Heating; | A 75 % Chromat. B 25 % Chromat. |
With iodine(I) bromide In tetrachloromethane for 3h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With oxygen; 1,2-dibromomethane for 10h; Reflux; | 99% |
With iron(III)-acetylacetonate; carbon tetrabromide at 120℃; for 2h; Sealed tube; Inert atmosphere; | 99% |
With dibromo sulfoxide In toluene for 22h; | 96% |
Conditions | Yield |
---|---|
With bromine; Nitrogen dioxide In trifluoroacetic acid at 20℃; for 0.5h; | 98% |
With water; bromine for 0.166667h; | 93% |
With bromine at 85 - 110℃; Temperature; | 93% |
1-Adamantanecarbonyl chloride
A
1-Adamantyl bromide
B
2-<(trichloromethyl)thio>pyridine
Conditions | Yield |
---|---|
With Bromotrichloromethane; 2-mercaptopyridine-1-oxide sodium salt; dmap at 105℃; for 0.5h; | A 98% B n/a |
1-Adamantyl bromide
Conditions | Yield |
---|---|
With bromine In tetrachloromethane at 20℃; for 12h; | 97% |
1-(Dibromoamino)adamantane
1-Adamantyl bromide
Conditions | Yield |
---|---|
In acetone at 250 - 260℃; | 94% |
In acetone at 250 - 260℃; also at 250 deg C, 6 Torr, without solvent; | 94% |
Conditions | Yield |
---|---|
With hydrogen bromide at 105℃; for 0.5h; | 92% |
With boron tribromide In hexane at 0℃; for 0.0833333h; | 90% |
4-(1-adamantyl)benzene-1,3-diol
A
1-Adamantyl bromide
B
2,4,6-tribromoresorcinol
C
2,6-Dibromo-4-(1-adamantyl)resorcinol
Conditions | Yield |
---|---|
With bromine In methanol; acetic acid for 1h; Ambient temperature; | A n/a B n/a C 91.5% |
IUPAC Name: 1-Bromoadamantane
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)Br
InChI: InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKey: VQHPRVYDKRESCL-UHFFFAOYSA-N
Molecular Weight: 215.1301 [g/mol]
Molecular Formula: C10H15Br
XLogP3: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 0
EINECS: 212-200-7
Melting Point: 116-118 °C(lit.)
Index of Refraction: 1.586
Molar Refractivity: 49.9 cm3
Molar Volume: 148.5 cm3
Surface Tension: 45.1 dyne/cm
Density: 1.448 g/cm3
Flash Point: 96.4 °C
Enthalpy of Vaporization: 45.8 kJ/mol
Boiling Point: 240.5 °C at 760 mmHg
Vapour Pressure: 0.0587 mmHg at 25 °C
Product Categories: Adamantanes
Sensitive: Moisture Sensitive
Appearance of 1-Bromoadamantane (CAS NO.768-90-1): white to almost white crystals or cryst. powder
Hazard Codes : Xn
Risk Statements :
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements :
S22: Do not breathe dust
S24/25: Avoid contact with skin and eyes
S36: Wear suitable protective clothing
S26: In case of contact with eyes, rinse immediately with plenty of WATER and seek medical advice
WGK Germany of 1-Bromoadamantane (CAS NO.768-90-1): 3
1-Bromoadamantane (CAS NO.768-90-1), its Synonyms are 1-Bromotricyclo(3.3.1.13,7)decane ; 3-Amino-1-adamantanol ; Tricyclo[3.3.1.13, 7]decane, 1-bromo- ; 1-Adamantyl bromide ; Adamantane, 1-bromo- ; Adamantyl bromide .