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1,9-Dibromononane

1,9-Dibromononane structure

CAS No:
4549-33-1
Formula:
C9H18Br2
Chemical Name:
1,9-Dibromononane
Synonyms:
Nonane,1,9-dibromo-;1,9-Dibromononane;NSC 62682
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

1,9-Dibromononane Basic Attributes

Molecular Weight：

286.051

Exact Mass：

286.05

EC Number：

224-913-0

NSC Number：

62682

DSSTox ID：

DTXSID0063521

HScode：

2903399090

Characteristics

PSA：

XLogP3：

5.3

Density：

1.4±0.1 g/cm3

Melting Point：

-22.5 °C

Boiling Point：

154-155 °C @ Press: 10 Torr

Flash Point：

139.0±17.7 °C

Refractive Index：

1.494

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,9-Dibromononane Use and Manufacturing

Methods of Manufacturing

General procedure: To an open oven-dried reaction vial charged with a stir bar was added copper catalyst (2 mg, 0.002 mmol, 0.01 equiv), the alcohol (0.20 mmol, 1.0 equiv), carbon tetrabromide (131.6 mg, 0.4mmol, 2.0 equiv) and sodium bromide (41 mg, 0.40 mmol, 2.0 equiv). The flask vial was capped, purged with a stream of nitrogen and dry DMF (1.5 mL) was added via syringe. The reactionmixture was stirred under purple LEDs (394 nm) for 24 h. The vessel was opened and the mixturewas poured into a separatory funnel containing Et2O (10 mL) and H2O (10 mL). The layers wereseparated, and the aqueous layer was extracted with Et2O (2 × 10 mL). The combined organiclayers were washed with sat. Na2S2O3 solution, brine, dried over Na2SO4 and concentrated invacuo. The residue was purified by chromatography (100 percent hexanes)

Manufacturing Info：

Nonane, 1,9-dibromo-: ACTIVE

Computed Properties

Molecular Weight:286.05
XLogP3:5.3
Rotatable Bond Count:8
Exact Mass:285.97548
Monoisotopic Mass:283.97753
Heavy Atom Count:11
Complexity:56.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,9-Dibromononane

CAS No.: 4549-33-1

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