ChemicalBook--->CAS DataBase List--->1955-46-0

1955-46-0

1955-46-0 Structure

1955-46-0 Structure
IdentificationMore
[Name]

Methyl 5-nitroisophthalate
[CAS]

1955-46-0
[Synonyms]

3-NITRO-5-(METHOXYCARBONYL)BENZOIC ACID
5-NITROISOPHTHALIC ACID MONOMETHYL ESTER
LABOTEST-BB LT00848268
Methyl 5-nitroisophthalate
METHYL HYDROGEN 5-NITROISOPHTHALATE
MONO-METHYL 5-NITROISOPHTHALATE
MONO-METHYL-5-NITROISOPHTHALIC ACID
NITROISOPHTHALIC-5 ACID, MONOMETHYL ESTER
3-benzenedicarboxylicacid,5-nitro-monomethylester
5-Nirto-iso-phthalicacidmonomethylester
methyl 5-nitrohydrogen.isophthalate
5-Nitro-1,3-Benzenedi-Carboxylic Acid Monomethyl Ester
MONOMETHYL 5-NITRO-ISO-PHTHALATE PESTANA L
5-Nitroisophthalic Acid Methylester
Monomethyl-5-Nitroisophathalate
5-NIPA-MME
3-(Methoxycarbonyl)-5-nitrobenzoic acid
5-Nitroisophthalic
1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester
monomethyl 5-nitrobenzene-1,3-dicarboxylate
[EINECS(EC#)]

217-793-6
[Molecular Formula]

C9H7NO6
[MDL Number]

MFCD00009793
[Molecular Weight]

225.15
[MOL File]

1955-46-0.mol
Chemical PropertiesBack Directory
[Appearance]

SLIGHTLY YELLOW FINE CRYSTALLINE POWDER
[Melting point ]

180-182 °C (lit.)
[Boiling point ]

366.65°C (rough estimate)
[density ]

1.5322 (rough estimate)
[vapor pressure ]

0-0Pa at 25℃
[refractive index ]

1.5200 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

9g/L in organic solvents at 20 ℃
[form ]

Fine Crystalline Powder
[pka]

3.11±0.10(Predicted)
[color ]

Slightly yellow
[Water Solubility ]

insoluble
[BRN ]

1469253
[CAS DataBase Reference]

1955-46-0(CAS DataBase Reference)
[EPA Substance Registry System]

1955-46-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T+
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R26/27/28:Very Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2811
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29173980
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dimethyl 5-nitroisophthalate-->Methanol-->5-Nitroisophthalic acid
[Preparation Products]

5-AMINO-N-METHYLISOPHTHALAMIC ACID-->5-NITRO-ISOPHTHALIC ACID MONOMETHYL AMIDE-->Desmethoxyacetyliopromid-->5-Aminoisophthalic acid monomethyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 5-nitroisophthalate(1955-46-0).msds
Hazard InformationBack Directory
[Chemical Properties]

SLIGHTLY YELLOW FINE CRYSTALLINE POWDER
[Uses]

Methyl 5-nitroisophthalate is used in the preparation of heterotrifunctional crosslinkers for multiple bioconjugation with peptides and also in the synthesis of histone demethylase LSD1 inhibitors tha t target cancer cells.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 5-nitroisophthalate(1955-46-0)MS
Methyl 5-nitroisophthalate(1955-46-0)1HNMR
Methyl 5-nitroisophthalate(1955-46-0)IR1
Methyl 5-nitroisophthalate(1955-46-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

mono-Methyl 5-nitroisophthalate, 98%(1955-46-0)
[Alfa Aesar]

5-Nitroisophthalic acid monomethyl ester, 99%(1955-46-0)
[Sigma Aldrich]

1955-46-0(sigmaaldrich)
[TCI AMERICA]

Monomethyl 5-Nitroisophthalate,>98.0%(T)(1955-46-0)
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