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CAS Number: 66096-75-1
(4-bromo-7-methoxybenzo[d][1,3]dioxol-5-yl)methanol

Structure

(4-bromo-7-methoxybenzo[d][1,3]dioxol-5-yl)methanol
Name: (4-bromo-7-methoxybenzo[d][1,3]dioxol-5-yl)methanol
Synonyms:
General Information
Product Number: 66096751

CAS Registry Number 66096-75-1
Name:
1,​3-​Benzodioxole-​5-​methanol, 4-​bromo-​7-​methoxy-

 

Chemical Formula: C9H9BrO4
Exact Mass: 259.97
Molecular Weight: 261.07
m/z: 259.97 (100.0%), 261.97 (98.1%), 260.97 (10.0%), 262.97 (9.7%), 263.97 (1.2%)

 

InChI:InChI=1S/C9H9BrO4/c1-12-6-2-5(3-11)7(10)9-8(6)13-4-14-9/h2,11H,3-4H2,1H3

InChI Key:OFYYUQORYKFGEH-UHFFFAOYSA-N

Canonical SMILES:COC1=C2C(=C(C(=C1)CO)Br)OCO2

 

Thermal Properties Value Condition Note
Melting Point 139-141 °C   (3)CAS
Melting Point 138-139.5 °C   (2)CAS
Melting Point 137-139 °C   (2)CAS

Specification

98%

References
  1. (2) Altemoeller, Martina; European Journal of Organic Chemistry 2009, (13), P2130-2140, S2130/1-S2130/36 CAPLUS
  2. (3) Ni, Jizhi; Tetrahedron 2011, V67(29), P5162-5167 CAPLUS
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