| Identification | More | [Name]
Decylbromide | [CAS]
112-29-8 | [Synonyms]
1-BROMODECANE
BROMO DECANE
DECYL BROMIDE
LAURYL BROMIDE
N-DECYL BROMIDE
TIMTEC-BB SBB008838
1-Bromdecan
1-bromo-decan
1-Decyl bromide
1-Decylbromid
1-decylbromide
decane,1-bromo-
I–Bromodecane
1-Bromodecane ,98%
10-Bromodecane | [EINECS(EC#)]
203-955-3 | [Molecular Formula]
C10H21Br | [MDL Number]
MFCD00000221 | [Molecular Weight]
221.18 | [MOL File]
112-29-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to light yellow liqui | [Melting point ]
-29.6 °C
| [Boiling point ]
238 °C(lit.)
| [density ]
1.066 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.456(lit.)
| [Fp ]
202 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
Chloroform, Ethyl Acetate (Slightly) | [form ]
Liquid | [color ]
Clear colorless to slightly yellow | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. | [Water Solubility ]
SLIGHTLY SOLUBLE | [Detection Methods]
GC,MS | [BRN ]
1735227 | [Henry's Law Constant]
1.7×10-4 mol/(m3Pa) at 25℃, Ebert et al. (2023) | [Dielectric constant]
4.4（24℃） | [InChI]
1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3 | [InChIKey]
MYMSJFSOOQERIO-UHFFFAOYSA-N | [SMILES]
CCCCCCCCCCBr | [CAS DataBase Reference]
112-29-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Decane, 1-bromo-(112-29-8) | [EPA Substance Registry System]
112-29-8(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319 | [Precautionary statements ]
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
2810 | [WGK Germany ]
3
| [RTECS ]
HD6850000
| [F ]
8 | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
6.1 | [HS Code ]
29033036 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2 | [Toxicity]
LD50 orally in Rabbit: > 2000 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
4-Decene, 1-bromo-, (4Z)--->Acetic acid, 2,2,2-trifluoro-, decyl ester-->DECYL METHANE SULFATE-->2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl bromide-->β-D-Glucose pentaacetate-->decyl formate-->N-DECYL ACETATE-->10-BROMO-1-DECENE-->TRIPHENYLPHOSPHINE DIBROMIDE-->Carbon tetrabromide-->Decane | [Preparation Products]
Tetrakis(decyl)ammonium bromide-->4-N-DECYLOXYBENZALDEHYDE-->3',4'-(DIDECYLOXY)BENZALDEHYDE-->Sodium decane-1-sulfonate-->Decoquinate-->TRANS-2-TRIDECEN-1-OL-->2-Propenoic acid, 3-[4-(decyloxy)phenyl]- |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to light yellow liqui | [Uses]
1-Bromodecane is used to produce decanal. It is also used in organic synthesis. | [General Description]
1-Bromodecane participates in alkylation of pentaerythritol and introduces two lipophilic groups in pentaerythritol. It reacts with 1,2-dimethylimidazole to yield 1-decyl-2,3-dimethylimidazolium bromide. | [Purification Methods]
Shake the it with H2SO4, wash with H2O, dry with K2CO3, and fractionally distil it. [Beilstein 1 IV 470.] | [References]
[1] Tetrahedron, 2003, vol. 59, # 13, p. 2253 - 2258
[2] Synthesis, 1983, # 4, p. 306 - 308
[3] Organic Process Research and Development, 2002, vol. 6, # 2, p. 190 - 191
[4] Tetrahedron Letters, 2003, vol. 44, # 44, p. 8143 - 8147
[5] Tetrahedron Letters, 2014, vol. 55, # 4, p. 799 - 802 |
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