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6-Bromoveratraldehyde

6-Bromoveratraldehyde structure

CAS No:
5392-10-9
Formula:
C9H9BrO3
Chemical Name:
6-Bromoveratraldehyde
Synonyms:
Benzaldehyde,2-bromo-4,5-dimethoxy-;Veratraldehyde,6-bromo-;2-Bromo-4,5-dimethoxybenzaldehyde;6-Bromoveratraldehyde;6-Bromo-3,4-dimethoxybenzaldehyde;6-Bromoveratral;3,4-Dimethoxy-6-bromobenzaldehyde;NSC 3254;4,5-Dimethoxy-2-bromobenzaldehyde
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

6-Bromoveratraldehyde is an organic compound that consists of a bromine atom attached to the benzene ring of veratraldehyde. It is a pale yellow solid with characteristic aldehyde functionality, making it reactive in organic synthesis. It is soluble in organic solvents like ethanol, chloroform, and ether but has limited solubility in water.

6-Bromoveratraldehyde Basic Attributes

Molecular Weight：

245.072

Exact Mass：

245.07

EC Number：

226-390-4

NSC Number：

3254

DSSTox ID：

DTXSID60202200

HScode：

2913000090

Characteristics

PSA：

35.5

XLogP3：

Density：

1.5±0.1 g/cm3

Melting Point：

147 °C

Boiling Point：

316.1±37.0 °C at 760 mmHg

Flash Point：

145.0±26.5 °C

Refractive Index：

1.568

Water Solubility：

Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

Marks：

Xi: Irritant;

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Bromoveratraldehyde Use and Manufacturing

6-Bromoveratraldehyde is primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. It plays a role in the preparation of various substituted aromatic compounds, which are crucial in the development of drugs and bioactive molecules.

Computed Properties

Molecular Weight:245.07
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:243.97351
Monoisotopic Mass:243.97351
Topological Polar Surface Area:35.5
Heavy Atom Count:13
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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