methyl 2-amino-5-bromo-3-nitrobenzoate

Modify Date: 2025-12-01 10:39:04

methyl 2-amino-5-bromo-3-nitrobenzoate Structure
methyl 2-amino-5-bromo-3-nitrobenzoate structure
Common Name methyl 2-amino-5-bromo-3-nitrobenzoate
CAS Number 636581-61-8 Molecular Weight 275.05600
Density 1.744g/cm3 Boiling Point 359.9ºC at 760 mmHg
Molecular Formula C8H7BrN2O4 Melting Point N/A
MSDS N/A Flash Point 171.5ºC

 Names

Name methyl 2-amino-5-bromo-3-nitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.744g/cm3
Boiling Point 359.9ºC at 760 mmHg
Molecular Formula C8H7BrN2O4
Molecular Weight 275.05600
Flash Point 171.5ºC
Exact Mass 273.95900
PSA 98.14000
LogP 2.83050
Index of Refraction 1.635
InChIKey AVBOYXHZYFHVJS-UHFFFAOYSA-N
SMILES COC(=O)c1cc(Br)cc([N+](=O)[O-])c1N

 Safety Information

HS Code 2922499990

 Synthetic Route

~81%

methyl 2-amino-5-bromo-3-nitrobenzoate Structure

methyl 2-amino-...

CAS#:636581-61-8

Literature: VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2003/105846 A1, 2003 ; Location in patent: Page 48 ; WO 03/105846 A1

~83%

methyl 2-amino-5-bromo-3-nitrobenzoate Structure

methyl 2-amino-...

CAS#:636581-61-8

Literature: PROLYSIS LTD. Patent: WO2007/148093 A1, 2007 ; Location in patent: Page/Page column 56-57 ; WO 2007/148093 A1

~93%

methyl 2-amino-5-bromo-3-nitrobenzoate Structure

methyl 2-amino-...

CAS#:636581-61-8

Literature: MERCK SERONO S.A.; THUNUGUNTLA, Siva Sanjeeva Rao; SUBRAMANYA, Hosahalli; KUNNAM, Satish Reddy; SANIVARU VIJAY, Sekhar Reddy; BINGI, Chakrapani; KUSANUR, Raviraj; SCHWARZ, Matthias; ARLT, Michael Patent: WO2010/115736 A2, 2010 ; Location in patent: Page/Page column 73 ; WO 2010/115736 A2

~57%

methyl 2-amino-5-bromo-3-nitrobenzoate Structure

methyl 2-amino-...

CAS#:636581-61-8

Literature: Charifson, Paul S.; Grillot, Anne-Laure; Grossman, Trudy H.; Parsons, Jonathan D.; Badia, Michael; Bellon, Steve; Deininger, David D.; Drumm, Joseph E.; Gross, Christian H.; LeTiran, Arnaud; Liao, Yusheng; Mani, Nagraj; Nicolau, David P.; Perola, Emanuele; Ronkin, Steven; Shannon, Dean; Swenson, Lora L.; Tang, Qing; Tessier, Pamela R.; Tian, Ski-Kai; Trudeau, Martin; Wang, Tiansheng; Wei, Yunyi; Zhang, Hong; Stamos, Dean Journal of Medicinal Chemistry, 2008 , vol. 51, # 17 p. 5243 - 5263

 Customs

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 Synonyms

2-Amino-5-bromo-3-nitro-benzoic acid methyl ester
Benzoic acid,2-amino-5-bromo-3-nitro-,methyl ester
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