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2,6-DIBROMOBENZALDEHYDE

2,6-DIBROMOBENZALDEHYDE structure

CAS No:
67713-23-9
Formula:
C7H4Br2O
Chemical Name:
2,6-DIBROMOBENZALDEHYDE
Synonyms:
2,6-DIBROMOBENZALDEHYDE;2,6-Dibromobenzenecarbaldehyde;1,3-Dibromo-2-formylbenzene;Benzaldehyde, 2,6-dibroMo-;2,6-Dibromobenzaldehyde 95%;2,6-Dibromobenzaldehyde≥ 98% (GC)
Categories:
Organic Chemistry > Coordination Complexes

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Description

Off-white crystalline powder

2,6-DIBROMOBENZALDEHYDE Basic Attributes

Molecular Weight：

263.93

Exact Mass：

261.862885

DSSTox ID：

DTXSID30505654

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

2.8

Density：

2.0±0.1 g/cm3

Melting Point：

92-93℃

Boiling Point：

279℃

Flash Point：

109℃

Refractive Index：

1.645

Safety Information

Hazard category：

IRRITANT

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,6-DIBROMOBENZALDEHYDE Use and Manufacturing

To a solution of iPrIn a 1-L reactor, tetrahydrofuran (500 mL) and 1, 3-dibromobenzene (50 g, 212 mmol) were placed and cooled to −78° C. under a nitrogen atmosphere. Drops of 1.5M LDA (170 mL, 254 mmol) were slowly added and then stirred for 30 min. At the same temperature, DMF (18.5 g, 254 mmol) was slowly added in a dropwise manner, followed by stirring for 30 min. The reaction was terminated with an aqueous sulfuric acid solution. The organic layer was extracted and concentrated at a reduced pressure. Purification by column chromatography afforded Intermediate 1-b (49 g): yield 88percent

Computed Properties

Molecular Weight:263.91
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:263.86084
Monoisotopic Mass:261.86289
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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