CAS No.768-90-1,1-Bromoadamantane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	768-90-1
Name:	1-Bromoadamantane
Article Data:	124

Formula:	C₁₀H₁₅Br
Molecular Weight:	215.133
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;
EINECS:	212-200-7
Density:	1.448 g/cm³
Melting Point:	116-118 °C
Boiling Point:	240.5 °C at 760 mmHg
Flash Point:	96.4 °C
Solubility:	insoluble in water
Appearance:	white to almost white crystals or cryst. powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	22-24/25-36-26
PSA:	0.00000
LogP:	3.35010

Synthetic route

: 935-56-8
1-chloroadamantane

: 768-90-1
1-Adamantyl bromide

Conditions

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%

: 281-23-2
adamantane

A: 768-90-1
1-Adamantyl bromide

B: 876-53-9
1,3-dibromoadamantane

Conditions

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;

: 768-95-6
1-adamanthanol

: 768-90-1
1-Adamantyl bromide

Conditions

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%

: 281-23-2
adamantane

: 768-90-1
1-Adamantyl bromide

Conditions

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%

: 2094-72-6
1-Adamantanecarbonyl chloride

A: 768-90-1
1-Adamantyl bromide

B: 66832-24-4
2-<(trichloromethyl)thio>pyridine

Conditions

Conditions	Yield
With Bromotrichloromethane; 2-mercaptopyridine-1-oxide sodium salt; dmap at 105℃; for 0.5h;	A 98% B n/a

: 1-adamantyl n-butyl ether

: 768-90-1
1-Adamantyl bromide

Conditions

Conditions	Yield
With bromine In tetrachloromethane at 20℃; for 12h;	97%

: 34913-44-5
1-(Dibromoamino)adamantane

: 768-90-1
1-Adamantyl bromide

Conditions

Conditions	Yield
In acetone at 250 - 260℃;	94%
In acetone at 250 - 260℃; also at 250 deg C, 6 Torr, without solvent;	94%

: 768-92-3
1-adamantyl fluoride

: 768-90-1
1-Adamantyl bromide

Conditions

Conditions	Yield
With hydrogen bromide at 105℃; for 0.5h;	92%
With boron tribromide In hexane at 0℃; for 0.0833333h;	90%

: 74131-25-2
4-(1-adamantyl)benzene-1,3-diol

A: 768-90-1
1-Adamantyl bromide

B: 2437-49-2
2,4,6-tribromoresorcinol

C: 74131-27-4
2,6-Dibromo-4-(1-adamantyl)resorcinol

Conditions

Conditions	Yield
With bromine In methanol; acetic acid for 1h; Ambient temperature;	A n/a B n/a C 91.5%

...Expand

: 75-62-7
Bromotrichloromethane

: 281-23-2
adamantane

: 75-05-8
acetonitrile

A: 768-90-1
1-Adamantyl bromide

B: 67-66-3
chloroform

C: 880-52-4
N-(1-adamantyl)acetamide

Conditions

Conditions	Yield
With water; molybdenum hexacarbonyl at 140℃; for 2h;	A n/a B n/a C 90%

...Expand

Raw Materials

507-19-7

768-92-3

75-62-7

1643-19-2

64-20-0

75-05-8

828-51-3

281-23-2

Downstream Products

126164-65-6

1459-95-6

624-38-4

585-71-7

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Chemistry

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

Safety Profile

Hazard Codes : Harmful 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

Specification

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 .