| Identification | More | [Name]
1,6-Dibromohexane | [CAS]
629-03-8 | [Synonyms]
1,6-DIBROMOHEXANE
1,6-DIBROMO-N-HEXANE
HEXAMETHYLENE BROMIDE
HEXAMETHYLENE DIBROMIDE
1,6-Dibromhexan
1,6-Dibromohexan
1,6-dibromo-hexan
alpha,omega-dibromohexane
Dibromo-1,6 hexane
Hexane,1,6-dibromo-
1,6-Dibromohexane,97%
Hexamethylendibromide
1,6-DIBROMOHEXANESALMETEROL | [EINECS(EC#)]
211-067-2 | [Molecular Formula]
C6H12Br2 | [MDL Number]
MFCD00000272 | [Molecular Weight]
243.97 | [MOL File]
629-03-8.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless or pale yellow liquid | [Melting point ]
-2-2.5 °C (lit.) | [Boiling point ]
243 °C (lit.) | [density ]
1.586 g/mL at 25 °C(lit.)
| [vapor pressure ]
<1 hPa (20 °C) | [refractive index ]
n20/D 1.507(lit.)
| [Fp ]
110 °C
| [storage temp. ]
Store below +30°C. | [solubility ]
soluble in Chloroform, Ethyl Acetate | [form ]
Liquid | [color ]
colorless to brownish-yellow
| [Stability:]
Stable. Incompatible with strong oxidizing agents. | [Water Solubility ]
insoluble | [Detection Methods]
GC,NMR | [BRN ]
1236322 | [Dielectric constant]
8.8900000000000006 | [InChI]
1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2 | [InChIKey]
SGRHVVLXEBNBDV-UHFFFAOYSA-N | [SMILES]
BrCCCCCCBr | [CAS DataBase Reference]
629-03-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Hexane, 1,6-dibromo-(629-03-8) | [EPA Substance Registry System]
629-03-8(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS07,GHS09 | [Signal word ]
Warning | [Hazard statements ]
H302-H317-H411 | [Precautionary statements ]
P261-P264-P273-P280-P301+P312-P302+P352 | [Hazard Codes ]
T,N,C | [Risk Statements ]
R25:Toxic if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 2810 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
MO1515000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
9 | [PackingGroup ]
III | [HS Code ]
29033036 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Chronic 2
Skin Sens. 1 | [Toxicity]
LD50 orally in Rabbit: 1800 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
colourless or pale yellow liquid | [Uses]
1,6-Dibromohexane is used as a reagent in the synthesis of novel benzo[b]xanthone derivatives which have a potential antitumor activity. It is also used as a cross-linker for the cross-linking of glycuronans. | [Preparation]
1,6-Dibromohexane is synthesized from hexanediol by bromination. | [Synthesis]
The general procedure for the synthesis of 1,6-dibromohexane from 1,6-hexanediol was as follows: N-bromosuccinimide (NBS, 534 mg, 3 mmol) was dissolved in dichloromethane (CH2Cl2, 10 mL) in a 50 mL round-bottomed flask. Triphenylphosphine (Ph3P, 786 mg, 3 mmol) and 1,6-hexanediol (1 mmol) were added dropwise to the NBS solution at -78 °C. The reaction mixture was stirred at room temperature away from light for 12 h, during which the progress of the reaction was monitored by thin layer chromatography (TLC, eluent: petroleum ether-ethyl acetate, 20:1). Upon completion of the reaction, the mixture was concentrated under vacuum and purified by fast chromatography on silica gel column (eluent: petroleum ether-ethyl acetate, 30:1) to afford the target product 1,6-dibromohexane. | [References]
[1] Synthesis (Germany), 2015, vol. 47, # 8, p. 1154 - 1162
[2] Journal of the American Chemical Society, 1936, vol. 58, p. 488
[3] Archiv der Pharmazie (Weinheim, Germany), 1935, p. 323
[4] Zhurnal Obshchei Khimii, 1935, vol. 5, p. 1508
[5] Journal of the Chemical Society, 1948, p. 46 |
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