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| CAS No.: | 629-03-8 |
|---|---|
| Name: | 1,6-Dibromohexane |
| 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 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| 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% |
- 1110667-72-5
O-6-hydroxyhexyl dimethylcarbamothioate
A
- 629-03-8
1 ,6-dibromohexane
B
- 4286-55-9
1-bromo-6-hexanol
C
- 1110667-79-2
C7H13BrO2
D
- 1110667-78-1
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% |
- 1110667-72-5
O-6-hydroxyhexyl dimethylcarbamothioate
A
- 629-03-8
1 ,6-dibromohexane
B
- 4286-55-9
1-bromo-6-hexanol
C
- 1110667-78-1
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% |
- 32315-10-9
bis(trichloromethyl) carbonate
- 292638-85-8
acrylic acid methyl ester
- 349553-73-7
6-azido-hexylamine
- 629-03-8
1 ,6-dibromohexane
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane | 40% |
- 1110667-75-8
O-6-(tetrahydro-2H-pyran-2-yloxy)hexyl dimethylcarbamothioate
A
- 629-03-8
1 ,6-dibromohexane
B
- 53963-10-3
2-[(6-bromohexyl)oxy]tetrahydro-2H-pyran
C
- 4286-55-9
1-bromo-6-hexanol
D
- 1110667-79-2
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% |
- 1110667-76-9
O-6-(tert-butyldimethylsiloxy)hexyl dimethylcarbamothioate
A
- 629-03-8
1 ,6-dibromohexane
B
- 4286-55-9
1-bromo-6-hexanol
C
- 18173-64-3
tert-butyldimethylsilanol
D
- 129368-70-3
(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; |
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Chemistry
Molecular Structure of 1,6-Dibromohexane (CAS NO.629-03-8):
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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
Toxicity Data With Reference
| 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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
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
Specification
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 .