CAS 618-95-1|Methyl 3-nitrobenzoate

Introduction：Basic information about CAS 618-95-1|Methyl 3-nitrobenzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles1
6. Synonyms

Common Name	Methyl 3-nitrobenzoate
CAS Number	618-95-1	Molecular Weight	181.145
Density	1.3±0.1 g/cm3	Boiling Point	284.7±13.0 °C at 760 mmHg
Molecular Formula	C₈H₇NO₄	Melting Point	78-80 °C(lit.)
MSDS	ChineseUSA	Flash Point	136.8±21.8 °C

Names

Name	Methyl 3-nitrobenzoate
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	284.7±13.0 °C at 760 mmHg
Melting Point	78-80 °C(lit.)
Molecular Formula	C₈H₇NO₄
Molecular Weight	181.145
Flash Point	136.8±21.8 °C
Exact Mass	181.037506
PSA	72.12000
LogP	1.82
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.554
InChIKey	AXLYJLKKPUICKV-UHFFFAOYSA-N
SMILES	COC(=O)c1cccc([N+](=O)[O-])c1
Stability	Stable. Incompatible with strong oxidizing agents.
Water Solubility	insoluble

Safety Information

Safety Phrases	S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
HS Code	2916399090

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%

Articles1

Conformationally biased P3 amide replacements of beta-secretase inhibitors.

Bioorg. Med. Chem. Lett. 16(3) , 641-4, (2006)

We have synthesized and evaluated a series of conformationally biased P3 amide replacements based on an isophthalamide lead structure. The studies resulted in the identification of the beta-secretase ...

Synonyms

Benzoic acid,3-nitro-,methyl ester

3-Nitrobenzoic acid methyl ester

Benzoic acid, m-nitro-, methyl ester (8CI)

EINECS 210-573-0

3-methoxycarbonyl-1-nitrobenzene

3-carbomethoxynitrobenzene

m-Nitrobenzoic acid, methyl ester

m-Nitrobenzoic acid,methyl ester

Benzoic acid, m-nitro-, methyl ester

Benzoic acid,m-nitro-,methyl ester

Methyl 3-nitrobenzoate

Methyl m-nitrobenzoate

Benzoic acid, 3-nitro-, methyl ester

MFCD00007250

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