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4-Bromocinnamaldehyde

4-Bromocinnamaldehyde structure

CAS No:
49678-04-8
Formula:
C9H7BrO
Chemical Name:
4-Bromocinnamaldehyde
Synonyms:
4-BROMOCINNAMALDEHYDE;2-PROPENAL, 3-(4-BROMOPHENYL)-,(2E);TRANS-4-BROMOCINNAMALDEHYDE;E-3-(4-Bromophenyl)-2-propenal;(E)-3-(4-Bromophenyl)propenal;(E)-4-Bromocinnamaldehyde;4-Bromo-trans-cinnamaldehyde;3-(4-broMophenyl)acrylaldehyde
Categories:
Organic Chemistry > Aldehydes

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Description

Light Yellow Solid

4-Bromocinnamaldehyde Basic Attributes

Molecular Weight：

211.06

Exact Mass：

209.968018

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

2.5

Appearance：

Light Yellow Solid

Density：

1.5±0.1 g/cm3

Melting Point：

70-74°C

Boiling Point：

310.5°C at 760 mmHg

Flash Point：

114.5±8.3 °C

Refractive Index：

1.612

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

4-Bromocinnamaldehyde Use and Manufacturing

General procedure: Sodium nitrite, 0.69 g (0.01 mol), was added in portions over a period of 10–15 min to a mixture of 0.01 mol of arylcyclopropane 1a–1l, 5.2 g of trifluoroacetic acid, and 15 mL of chloroform, cooled to 0–5 °C.The mixture was allowed to warm up to 20 °C, kept for1 h at that temperature, and poured into 100 mL of cold water. The organic phase was separated, the aqueousphase was extracted with chloroform (2 × 10 mL), the extracts were combined with the organic phase, washed with water (2 × 30 mL), and dried over MgSO4, the solvent was removed, and the residue was analyzed by 1H NMR. Compound 2l was isolated by crystallization. The compositions of the reaction mixtures are given in Table 1. The physical constants and spectral characteristics of 2a [16], 2b [30], and 2l [28] coincided with published data.

Computed Properties

Molecular Weight:211.05
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:209.96803
Monoisotopic Mass:209.96803
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:146
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 49678-04-8

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CAS No.: 49678-04-8

Grade: Pharmaceutical Grade

Content: 99%

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