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CAS Number: 56008-63-0
4-bromobenzo[d][1,3]dioxole-5-carbaldehyde

Structure

4-bromobenzo[d][1,3]dioxole-5-carbaldehyde
Name: 4-bromobenzo[d][1,3]dioxole-5-carbaldehyde
Synonyms:
General Information
Product Number: 56008630

CAS Registry Number 56008-63-0
Name:
1,​3-​Benzodioxole-​5-​carboxaldehyde, 4-​bromo-
2-Bromo-3,4-(methylenedioxy)benzaldehyde
4-Bromo-1,3-benzodioxole-5-carboxaldehyde

 

Chemical Formula: C8H5BrO3
Exact Mass: 227.94
Molecular Weight: 229.03
m/z: 227.94 (100.0%), 229.94 (97.3%), 228.95 (8.8%), 230.94 (8.5%)

 

InChI:InChI=1S/C8H5BrO3/c9-7-5(3-10)1-2-6-8(7)12-4-11-6/h1-3H,4H2

InChI Key:QBVZVVIMRXNRKU-UHFFFAOYSA-N

Canonical SMILES:C1OC2=C(O1)C(=C(C=C2)C=O)Br

 

Thermal Properties Value Condition Note
Melting Point 131-133 °C Solv: benzene (71-43-2); hexane (110-54-3) (1)IC
Melting Point 129 °C Solv: ethanol (64-17-5) (3)IC

Specification

98%

References
  1. (1) Sinhababu, Achintya K.; Journal of Organic Chemistry 1983, V48(14), P2356-60 CAPLUS
  2. (3) Fleming, Ian; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (3), P829-37 CAPLUS
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