Benzoic acid, 3-nitro-,ethyl ester

Modify Date: 2025-08-22 16:26:54

Benzoic acid, 3-nitro-,ethyl ester Structure
Benzoic acid, 3-nitro-,ethyl ester structure
Common Name Benzoic acid, 3-nitro-,ethyl ester
CAS Number 618-98-4 Molecular Weight 195.17200
Density 1.253g/cm3 Boiling Point 297-298°C
Molecular Formula C9H9NO4 Melting Point 41 °C
MSDS N/A Flash Point 297-298°C

 Names

Name ethyl 3-nitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.253g/cm3
Boiling Point 297-298°C
Melting Point 41 °C
Molecular Formula C9H9NO4
Molecular Weight 195.17200
Flash Point 297-298°C
Exact Mass 195.05300
PSA 72.12000
LogP 2.29470
Index of Refraction 1.544
InChIKey MKBIJCPQTPFQKQ-UHFFFAOYSA-N
SMILES CCOC(=O)c1cccc([N+](=O)[O-])c1
Stability Stable. Incompatible with strong oxidizing agents.

 Safety Information

Safety Phrases S22-S24/25
HS Code 2916399090

 Synthetic Route

 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%

 Benzoic acid, 3-nitro-,ethyl esterBioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

ethyl-3-nitrobenzoate
m-nitro-carboethoxy-benzene
Ethyl-m-nitrobenzoate
EINECS 210-574-6
MFCD00014702
3-Nitro-benzoesaeure-aethylester
Benzoic acid,3-nitro-,ethyl ester
m-Nitrobenzoic acid,ethyl ester
3-nitro-benzoic acid ethyl ester
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