CAS 1955-46-0|mono-Methyl-5-nitroisophthalic acid

Introduction：Basic information about CAS 1955-46-0|mono-Methyl-5-nitroisophthalic acid, 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	mono-Methyl-5-nitroisophthalic acid
CAS Number	1955-46-0	Molecular Weight	225.155
Density	1.5±0.1 g/cm3	Boiling Point	419.7±35.0 °C at 760 mmHg
Molecular Formula	C₉H₇NO₆	Melting Point	180-182 °C(lit.)
MSDS	ChineseUSA	Flash Point	207.6±25.9 °C

Names

Name	3-methoxycarbonyl-5-nitrobenzoic acid
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	419.7±35.0 °C at 760 mmHg
Melting Point	180-182 °C(lit.)
Molecular Formula	C₉H₇NO₆
Molecular Weight	225.155
Flash Point	207.6±25.9 °C
Exact Mass	225.027344
PSA	109.42000
LogP	1.65
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.594
InChIKey	ZCRNIIJXDRYWDU-UHFFFAOYSA-N
SMILES	COC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1
Water Solubility	insoluble

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	T+
Risk Phrases	R36/37/38
Safety Phrases	S22-S24/25
RIDADR	UN 2811
WGK Germany	3
HS Code	2942000000

Customs

HS Code	2918990090
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles1

Potent and selective isophthalamide S2 hydroxyethylamine inhibitors of BACE1.

Bioorg. Med. Chem. Lett. 17(12) , 3378-83, (2007)

The design and synthesis of a novel series of potent BACE1 hydroxyethylamine inhibitors. These inhibitors feature hydrogen bonding substituents at the C-5 position of the isophthalamide ring with impr...

Synonyms

mono-Methyl 5-nitroisophthalate

EINECS 217-793-6

5-Nitroisophthalic Acid Monomethyl Ester

methyl hydrogen 5-nitroisophthalate

mono-Methyl-5-nitroisophthalic acid

3-(Methoxycarbonyl)-5-nitrobenzoic acid

MonoMethyl 5-Nitroisophthalate

3-carbomethoxy-5-nitrobenzoic acid

5-Nitroisophthalic acid,monomethyl ester

1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester

Methyl 5-nitroisophthalate

5-Nitro Monomethyl Isophthalate

3-nitro-5-methoxycarbonylbenzoic acid

Monomethyl 5-nitrobenzene-1,3-dicarboxylate

MFCD00009793

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