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1-Bromodecane

1-Bromodecane structure

CAS No:
112-29-8
Formula:
C10H21Br
Chemical Name:
1-Bromodecane
Synonyms:
Decane,1-bromo-;1-Bromodecane;Decyl bromide;n-Decyl bromide;1-Decyl bromide;NSC 8780;10-Bromodecane;2127404-17-3
Categories:
Agrochemicals > Pesticide Intermediates

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1-Bromodecane Basic Attributes

Molecular Weight：

221.18

Exact Mass：

221.18

EC Number：

203-955-3

NSC Number：

8780

DSSTox ID：

DTXSID9051581

HScode：

2903399090

Characteristics

PSA：

XLogP3：

Density：

1.0683 g/cm³ @ Temp: 20 °C

Melting Point：

-29.2 °C

Boiling Point：

240.6 °C

Flash Point：

94.4±0.0 °C

Refractive Index：

1.455

Vapor Pressure：

0.04 mmHg

Safety Information

Packing level：

Ⅲ

Transport codes：

3082

wgk germany：

hazard class code：

safety instructions：

S23-S24/25

RTECS Number：

HD6850000

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.

Precautionary statement(s)：

P273

Hazard Statements：

H400

GHS Classification：

|Warning|H315 (13.46%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 52 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-bromodecane

1-Bromodecane Use and Manufacturing

Methods of Manufacturing

General procedure: To asuspension of PSP Cl or PSP Br (6 equiv) in CHCl3 or DCE (20 mL) was added the appropriate substrate(s) e.g. alcohol/aldehyde/epoxide/oxime/carboxylicacid/amine (1 equiv). The mixture was heated at either 60°C (CHCl3 reactions) or 75°C (DCE reactions) for 18 h. The reaction mixture was filtered and the filter cake washed with CH2Cl2 (2 10 mL). The solvent was removed in vacuo to afford the corresponding products, which were either judged pure by 1H NMR analysis of the crude reaction product or were purified via normal phase silica gel flash column chromatography eluting with a Et2O/petroleum ether 40–60 solvent mixture. The recovered polymer could be reused without anyfurther manipulation.General procedure: Bromine (1.5 mmol, 0.08 mL) was added slowly to a magnetic stirring barand perfluorohexanes (4.0 mL) in a test tube (14 mmφ x 105 mm) with a septum and then 1-O-acetylsugar 1a (1 mmol, 392 mg) in ethyl acetate (2.0 mL) wasadded slowly, forming three layers. The test tube was stirring upon irradiationwith 15 W black light (at 352 nm, TOSHIBA EFD15BLB-T) at 30 C. The light source wasplaced away from the test tube. After 23 hours, the bromine layer disappearedand the fluorous layer recovered transparency. The ethyl acetate layer wastaken up with a pipette. Then, additional ethyl acetate (2 mL x 4) was placedon the residual FC-72 layer, followed by decanting off. The combined ethylacetate layer was washed with water (15 mL), aqueous sat. NaHCO

Manufacturing Info：

Decane, 1-bromo-: ACTIVE

Computed Properties

Molecular Weight:221.18
XLogP3:6
Rotatable Bond Count:8
Exact Mass:220.08266
Monoisotopic Mass:220.08266
Heavy Atom Count:11
Complexity:61.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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