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5-(broMoMethyl)undecane

5-(broMoMethyl)undecane structure

CAS No:
85531-02-8
Formula:
C12H25Br
Chemical Name:
5-(broMoMethyl)undecane
Synonyms:
5-(Bromomethyl)undecane;2-butyloctylbromide;SCHEMBL725115;DTXSID00607290;3280AC;MFCD23115881;DS-4476;AK109797;SY100659
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-(broMoMethyl)undecane Basic Attributes

Molecular Weight：

249.2309

Exact Mass：

248.11400

DSSTox ID：

DTXSID00607290

Characteristics

PSA：

XLogP3：

6.3

Density：

1.037±0.06 g/cm3(Predicted)

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

5-(broMoMethyl)undecane Use and Manufacturing

Bromine (1 OOmmol, 5.11 5mL), triphenylphosphine (26.1 8g, 100 mmol) were dissolved in 250 rnL of DCM and the solution was bubbled with Ar for 10 mm. 2-butyl-1-octanol (18.635g, 100 rnrnol) was added at 0 °C and stirred at this temperature for 30 mm and then at room temperature overnight. Then the reaction was added little Na2503 After removal of solvent, residue was filtrated and washed with hexane. The crude product was passed through a plug of silica gel using PE as an eluent to give colorless oil (22.Og, 88.1percent).‘H NMR (400 MHz, CDC13) 3.45 (d, J = 4.8 Hz, 2H), 1.59 (dd, J = 11.1, 5.3 Hz, 1H), 1.40 — 1.21 (m, 16H), 0.90 (q, J= 6.9 Hz, 6H).‘3C NMR (125 MHz, CDC13) 39.88, 39.62, 32.71, 32.40, 31.95, 29.61, 28.92, 26.68, 22.99, 22.80, 14.25, 14.21.

Computed Properties

Molecular Weight:249.23
XLogP3:6.3
Rotatable Bond Count:9
Exact Mass:248.11396
Monoisotopic Mass:248.11396
Heavy Atom Count:13
Complexity:91.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-(broMoMethyl)undecane

CAS No.: 85531-02-8

Content: 99.00%

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Hangzhou Zentra Bio-Chemical Co., Ltd. Contact Supplier

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5-(broMoMethyl)undecane 85531-02-8

CAS No.: 85531-02-8

Grade: Pharmaceutical Grade

Content: 99%

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