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CAS No.: | 629-03-8 |
---|---|
Name: | 1,6-Dibromohexane |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C6H12Br2 |
Molecular Weight: | 243.969 |
Synonyms: | 1,6-Dibromo-n-hexane;Hexamethylene dibromide;a,w-Dibromohexane; |
EINECS: | 211-067-2 |
Density: | 1.584 g/cm3 |
Melting Point: | -2-2.5 °C(lit.) |
Boiling Point: | 244.1 °C at 760 mmHg |
Flash Point: | 110.8 °C |
Solubility: | insoluble in water |
Appearance: | Colorless or pale yellow liquid. |
Hazard Symbols: | T, N, C |
Risk Codes: | 25-51/53 |
Safety: | 36-45-61 |
Transport Information: | UN 2810 6.1/PG 3 |
PSA: | 0.00000 |
LogP: | 3.33660 |
Conditions | Yield |
---|---|
With N-Bromosuccinimide; triphenylphosphine In dichloromethane at -78 - 20℃; for 12h; Darkness; chemoselective reaction; | 97% |
With sulfuric acid; hydrogen bromide | |
With hydrogen bromide folgendes Erhitzen; |
Conditions | Yield |
---|---|
With hydrogen bromide In toluene for 13h; Substitution; Heating; | A n/a B 79% |
With hydrogen bromide In toluene for 24h; Heating; | A 1% B 69% |
Conditions | Yield |
---|---|
With 4-(bromomethylene)morpholin-4-ium bromide In dichloromethane at 0℃; for 1h; Inert atmosphere; | A 5% B 75% |
O-6-hydroxyhexyl dimethylcarbamothioate
A
1 ,6-dibromohexane
B
1-bromo-6-hexanol
C
C7H13BrO2
D
6-bromohexyl dimethylthiocarbamate
Conditions | Yield |
---|---|
With 4-(bromomethylene)morpholin-4-ium bromide In dichloromethane at 0℃; for 0.5h; Inert atmosphere; | A 18% B 13% C 10% D 59% |
O-6-hydroxyhexyl dimethylcarbamothioate
A
1 ,6-dibromohexane
B
1-bromo-6-hexanol
C
6-bromohexyl dimethylthiocarbamate
Conditions | Yield |
---|---|
With 4-(bromomethylene)morpholin-4-ium bromide In dichloromethane at 0℃; for 24h; Inert atmosphere; | A 44% B 4% C 50% |
bis(trichloromethyl) carbonate
acrylic acid methyl ester
6-azido-hexylamine
1 ,6-dibromohexane
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane | 40% |
O-6-(tetrahydro-2H-pyran-2-yloxy)hexyl dimethylcarbamothioate
A
1 ,6-dibromohexane
B
2-[(6-bromohexyl)oxy]tetrahydro-2H-pyran
C
1-bromo-6-hexanol
D
C7H13BrO2
Conditions | Yield |
---|---|
With 4-(bromomethylene)morpholin-4-ium bromide In dichloromethane at 0℃; for 1.5h; Inert atmosphere; | A 5% B 14% C 27% D 23% |
O-6-(tert-butyldimethylsiloxy)hexyl dimethylcarbamothioate
A
1 ,6-dibromohexane
B
1-bromo-6-hexanol
C
tert-butyldimethylsilanol
D
(6-bromohexyloxy)-tert-butyldimethylsilane
Conditions | Yield |
---|---|
With 4-(bromomethylene)morpholin-4-ium bromide In dichloromethane at 0℃; for 2h; Inert atmosphere; | A 10% B 21% C 13% D 26% |
Conditions | Yield |
---|---|
With hydrogen bromide at -78℃; Irradiation.mit UV-Licht; |
Conditions | Yield |
---|---|
unter Luminescenz; |
Molecular Structure of 1,6-Dibromohexane (CAS NO.629-03-8):
IUPAC Name: 1,6-dibromohexane
Empirical Formula: C6H12Br2
Molecular Weight: 243.9675
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 0 Å2
Index of Refraction: 1.5
Molar Refractivity: 45.3 cm3
Molar Volume: 153.9 cm3
Surface Tension: 35.2 dyne/cm
Density: 1.584 g/cm3
Flash Point: 110.8 °C
Enthalpy of Vaporization: 46.17 kJ/mol
Boiling Point: 244.1 °C at 760 mmHg
Vapour Pressure: 0.0483 mmHg at 25°C
EINECS: 211-067-2
Melting point: −2-2.5 °C(lit.)
Product Categories: Industrial/Fine Chemicals; Dibromoalkane; Bromine Compounds; alpha,omega-Bifunctional Alkanes; alpha,omega-Dibromoalkanes; Monofunctional & alpha,omega-Bifunctional Alkanes
1. | skn-rbt 500 mg MLD | FCTOD7 Food and Chemical Toxicology. 20 (1982),563. | ||
2. | eye-rbt 100 mg MLD | FCTOD7 Food and Chemical Toxicology. 20 (1982),573. | ||
3. | eye-rbt 100 mg/30S rns MLD | FCTOD7 Food and Chemical Toxicology. 20 (1982),573. | ||
4. | mmo-sat 10 µmol/plate | MUREAV Mutation Research. 141 (1984),11. | ||
5. | ipr-mus LD50:270 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 14 (1964),668. |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. A skin and eye irritant. Mutation data reported. When heated to decomposition it emits very toxic fumes of Br−. See also BROMIDES.
Hazard Codes: T,N,C
Risk Statements: 25-51/53
R25 :Toxic if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 36-45-61
S36:Wear suitable protective clothing.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: MO1515000
HazardClass: 9
PackingGroup; III
HS Code: 29033036
1,6-Dibromohexane , with CAS number of 629-03-8, can be called Hexamethylene dibromide ; 1,6-Dibromo-n-hexane ; a,w-Dibromohexane . It is a colourless or pale yellow liquid. 1,6-Dibromohexane (CAS NO.629-03-8) can be used as intermediates in organic synthesis, or for the production of lowering blood pressure drug-Rokko bromide .