methyl 3-nitro-4-bromomethylbenzoate

Modify Date: 2026-07-27 20:49:14

methyl 3-nitro-4-bromomethylbenzoate Structure
methyl 3-nitro-4-bromomethylbenzoate structure
 Common Name methyl 3-nitro-4-bromomethylbenzoate
CAS Number 88089-94-5 Molecular Weight 274.06800
Density N/A Boiling Point 364.5±32.0°C at 760 mmHg
Molecular Formula C9H8BrNO4 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name methyl 4-(bromomethyl)-3-nitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 364.5±32.0°C at 760 mmHg
Molecular Formula C9H8BrNO4
Molecular Weight 274.06800
Exact Mass 272.96400
PSA 72.12000
LogP 2.79950
InChIKey HYGYRBBZOHUETE-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(CBr)c([N+](=O)[O-])c1

 Safety Information

HS Code 2916399090

 Synthetic Route

4-Methyl-3-nitrobenzoic acid methyl ester structure

4-Methyl-3-nitr...

CAS#:7356-11-8

~69%

methyl 3-nitro-4-bromomethylbenzoate Structure

methyl 3-nitro-...

CAS#:88089-94-5

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Literature: ELI LILLY AND COMPANY Patent: WO2005/66136 A1, 2005 ; Location in patent: Page/Page column 93 ; WO 2005/066136 A1
Methanol structure

Methanol

CAS#:67-56-1

4-(Bromomethyl)-3-nitrobenzoic acid structure

4-(Bromomethyl)...

CAS#:55715-03-2

~71%

methyl 3-nitro-4-bromomethylbenzoate Structure

methyl 3-nitro-...

CAS#:88089-94-5

Learn More
Literature: Lopes, Marcela S.; De Souza Pietra, Renata C.C.; Borgati, Tatiane F.; Romeiro, Carla F.D.; Junior, Policarpo A.S.; Romanha, Alvaro J.; Alves, Ricardo J.; Souza-Fagundes, Elaine M.; Fernandes, Ana Paula S.M.; De Oliveira, Renata B. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 11 p. 5443 - 5447
Methyl 4-(bromomethyl)benzoate structure

Methyl 4-(bromo...

CAS#:2417-72-3

~91%

methyl 3-nitro-4-bromomethylbenzoate Structure

methyl 3-nitro-...

CAS#:88089-94-5

Learn More
Literature: Kantchev, Assen B.; Parquette, Jon R. Tetrahedron Letters, 1999 , vol. 40, # 46 p. 8049 - 8053
4-(Bromomethyl)-3-nitrobenzoic acid structure

4-(Bromomethyl)...

CAS#:55715-03-2

(Trimethylsilyl)diazomethane structure

(Trimethylsilyl...

CAS#:18107-18-1

~95%

methyl 3-nitro-4-bromomethylbenzoate Structure

methyl 3-nitro-...

CAS#:88089-94-5

Learn More
Literature: Tremblay, Martin R.; Poirier, Donald Tetrahedron Letters, 1999 , vol. 40, # 7 p. 1277 - 1280
4-Methyl-3-nitrobenzoic acid structure

4-Methyl-3-nitr...

CAS#:96-98-0

~%

methyl 3-nitro-4-bromomethylbenzoate Structure

methyl 3-nitro-...

CAS#:88089-94-5

Learn More
Literature: DR.REDDY'S LABORATORIES LTD.; SASMAL, Pradip Kumar; VAMSEEKRISHNA, Chintakunta; POTLURI, Vijay; TEHIM, Ashok; GAI, Yonghua; ZHANG, Hang Patent: WO2013/131408 A1, 2013 ;
4-Bromomethylbenzoic acid structure

4-Bromomethylbe...

CAS#:6232-88-8

~%

methyl 3-nitro-4-bromomethylbenzoate Structure

methyl 3-nitro-...

CAS#:88089-94-5

Learn More
Literature: Lopes, Marcela S.; De Souza Pietra, Renata C.C.; Borgati, Tatiane F.; Romeiro, Carla F.D.; Junior, Policarpo A.S.; Romanha, Alvaro J.; Alves, Ricardo J.; Souza-Fagundes, Elaine M.; Fernandes, Ana Paula S.M.; De Oliveira, Renata B. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 11 p. 5443 - 5447

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 methyl 3-nitro-4-bromomethylbenzoateBioassay

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Name: Trypanocidal activity against intracellular amastigote form of Trypanosoma cruzi Tula...
Source: ChEMBL
Target: Trypanosoma cruzi
External Id: CHEMBL1840098
Name: Antiparasitic activity against promastigote form of Leishmania amazonensis IFLA/BR/67...
Source: ChEMBL
Target: Leishmania amazonensis
External Id: CHEMBL1840100
Name: Selectivity index, ratio of IC50 for human PBMC to IC50 for Leishmania amazonensis IF...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1840102
Name: Inhibition of cell proliferation of phytohemagglutinin-induced human PBMC
Source: ChEMBL
Target: PBMC
External Id: CHEMBL1840101
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 Synonyms

4-bromomethyl-3-nitro-benzoic acid methyl ester
nitro-3 bromomethyl-4 benzoate de methyle
methyl 3-nitro-4-bromomethylbenzoate
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