3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile

Modify Date: 2025-08-25 18:04:37

3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile Structure
3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile structure
 Common Name 3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile
CAS Number 450839-73-3 Molecular Weight 316.14900
Density N/A Boiling Point N/A
Molecular Formula C15H10BrNO2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile

 Chemical & Physical Properties

Molecular Formula C15H10BrNO2
Molecular Weight 316.14900
Exact Mass 314.98900
PSA 42.25000
LogP 3.84888
InChIKey MXDLOTAUUUIMMM-UHFFFAOYSA-N
SMILES N#Cc1ccc(CBr)c(-c2ccc3c(c2)OCO3)c1

 Synthetic Route

3-benzo[1,3]dioxol-5-yl-4-methylbenzonitrile structure

3-benzo[1,3]dio...

CAS#:450839-69-7

~%

3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile Structure

3-(1,3-benzodio...

CAS#:450839-73-3

Literature: Tong, Yunsong; Lin, Nan-Horng; Wang, Le; Hasvold, Lisa; Wang, Weibo; Leonard, Nicholas; Li, Tongmei; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Stoll, Vincent; Bauch, Joy; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L. Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 9 p. 1571 - 1574
3-Iodo-4-methylbenzonitrile structure

3-Iodo-4-methyl...

CAS#:42872-79-7

~%

3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile Structure

3-(1,3-benzodio...

CAS#:450839-73-3

Literature: Wang, Le; Wang, Gary T.; Wang, Xilu; Tong, Yunsong; Sullivan, Gerry; Park, David; Leonard, Nicholas M.; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Bauch, Joy L.; Jakob, Clarissa G.; Hutchins, Charles W.; Stoll, Vincent S.; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L.; Lin, Nan-Horng Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 612 - 626
1,3-Benzodioxol-5-ylboronic acid structure

1,3-Benzodioxol...

CAS#:94839-07-3

~%

3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile Structure

3-(1,3-benzodio...

CAS#:450839-73-3

Literature: Li, Qun; Wang, Gary T.; Li, Tongmei; Gwaltney II, Stephen L.; Woods, Keith W.; Claiborne, Akiyo; Wang, Xilu; Gu, Wendy; Cohen, Jerry; Stoll, Vincent S.; Hutchins, Charles; Frost, David; Rosenberg, Saul H.; Sham, Hing L. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 21 p. 5371 - 5376
3-Amino-p-tolunitrile structure

3-Amino-p-tolun...

CAS#:60710-80-7

~%

3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile Structure

3-(1,3-benzodio...

CAS#:450839-73-3

Literature: Wang, Le; Wang, Gary T.; Wang, Xilu; Tong, Yunsong; Sullivan, Gerry; Park, David; Leonard, Nicholas M.; Li, Qun; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Bauch, Joy L.; Jakob, Clarissa G.; Hutchins, Charles W.; Stoll, Vincent S.; Marsh, Kennan; Rosenberg, Saul H.; Sham, Hing L.; Lin, Nan-Horng Journal of Medicinal Chemistry, 2004 , vol. 47, # 3 p. 612 - 626
3-Bromo-4-methylbenzonitrile structure

3-Bromo-4-methy...

CAS#:42872-74-2

~%

3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile Structure

3-(1,3-benzodio...

CAS#:450839-73-3

Literature: Lin, Nan-Horng; Wang, Le; Wang, Xilu; Wang, Gary T.; Cohen, Jerry; Gu, Wen-Zhen; Zhang, Haiying; Rosenberg, Saul H.; Sham, Hing L. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 20 p. 5057 - 5062
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Chemsrc provides CAS#:450839-73-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile>> amp version: 3-(1,3-benzodioxol-5-yl)-4-(bromomethyl)benzonitrile

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