3-Nitrobenzyl benzoate

Modify Date: 2025-10-08 09:51:43

3-Nitrobenzyl benzoate Structure
3-Nitrobenzyl benzoate structure
Common Name 3-Nitrobenzyl benzoate
CAS Number 38612-16-7 Molecular Weight 257.24100
Density 1.287g/cm3 Boiling Point 412ºC at 760 mmHg
Molecular Formula C14H11NO4 Melting Point N/A
MSDS N/A Flash Point 183.3ºC

 Names

Name (3-nitrophenyl)methyl benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.287g/cm3
Boiling Point 412ºC at 760 mmHg
Molecular Formula C14H11NO4
Molecular Weight 257.24100
Flash Point 183.3ºC
Exact Mass 257.06900
PSA 72.12000
LogP 3.47500
Index of Refraction 1.607
InChIKey XYHCAQKUZAEVJN-UHFFFAOYSA-N
SMILES O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1

 Safety Information

HS Code 2916310090

 Customs

HS Code 2916310090
Summary 2916310090 other benzoic acid and its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

 3-Nitrobenzyl benzoateBioassay

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Name: Cytotoxicity against HEK293T cells expressing HA-tagged mouse AT1a angiotensin 2 rece...
Source: ChEMBL
Target: N/A
External Id: CHEMBL998775
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
Name: Antagonist activity at HA-tagged mouse AT1a angiotensin 2 receptor expressed in HEK29...
Source: ChEMBL
Target: Type-1A angiotensin II receptor
External Id: CHEMBL998774
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 Synonyms

benzoic acid-(3-nitro-benzyl ester)
3-Nitrobenzyl benzoate
Benzenemethanol,3-nitro-,benzoate (ester)
Benzoesaeure-(3-nitro-benzylester)
m-Nitrobenzyl benzoate
3-Nitrobenzenemethanol butyrate
Benzoeseure-(3-nitrobenzylester)
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