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Methyl 5-nitroisophthalate

CAS No.
1955-46-0
Chemical Name:
Methyl 5-nitroisophthalate
Synonyms
3-(Methoxycarbonyl)-5-nitrobenzoic acid;5-NITROISOPHTHALIC ACID MONOMETHYL ESTER;NITROISOPHTHALIC-5 ACID, MONOMETHYL ESTER;5-NIPA-MME;5-Nitroisophthalic;Adagrasib Impurity 62;LABOTEST-BB LT00848268;Methyl 5-nitroisophthalate;mono-Methyle5-nitroisophthalate;MONO-METHYL 5-NITROISOPHTHALATE
CBNumber:
CB1103885
Molecular Formula:
C9H7NO6
Molecular Weight:
225.15
MDL Number:
MFCD00009793
MOL File:
1955-46-0.mol
MSDS File:
SDS
Last updated:2026-05-27 23:01:30

Methyl 5-nitroisophthalate Properties

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
InChI 1S/C9H7NO6/c1-16-9(13)6-2-5(8(11)12)3-7(4-6)10(14)15/h2-4H,1H3,(H,11,12)
InChIKey ZCRNIIJXDRYWDU-UHFFFAOYSA-N
SMILES COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O
LogP 1.65 at 25℃
CAS DataBase Reference 1955-46-0(CAS DataBase Reference)
FDA UNII V8UVV7P68X
EPA Substance Registry System Monomethyl 5-nitroisophthalate (1955-46-0)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  T+
Risk Statements  36/37/38-26/27/28
Safety Statements  22-24/25-45-36/37/39
RIDADR  UN 2811
WGK Germany  3
TSCA  TSCA listed
HS Code  29173980
Storage Class 13 - Non Combustible Solids
REACH Registrations Active
NFPA 704
1
0 0

Methyl 5-nitroisophthalate price More Price(50)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemical N0641 Monomethyl 5-Nitroisophthalate >98.0%(T) 1955-46-0 25g $32 2026-04-30 Buy
TCI Chemical N0641 Monomethyl 5-Nitroisophthalate >98.0%(T) 1955-46-0 500g $240 2026-04-30 Buy
TRC TRC-M323770-5G Methyl 5-Nitroisophthalate 1955-46-0 5g $167 2026-06-03 Buy
TRC TRC-M323770-50G Methyl 5-Nitroisophthalate 1955-46-0 50g $339 2026-06-03 Buy
Biosynth FN137812 5-Nitroisophthalic acid monomethyl ester 1955-46-0 100g $254 2026-06-04 Buy
Product number Packaging Price Buy
N0641 25g $32 Buy
N0641 500g $240 Buy
TRC-M323770-5G 5g $167 Buy
TRC-M323770-50G 50g $339 Buy
FN137812 100g $254 Buy

Methyl 5-nitroisophthalate Chemical Properties,Uses,Production

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.

Uses

mono-Methyl 5-nitroisophthalate has been used as starting reagent in the synthesis of 3-amide-5-[(dipropylamino)carbonyl]benzoic acids.

Flammability and Explosibility

Non flammable

13290-96-5
1955-46-0
Synthesis of Methyl 5-nitroisophthalate from Dimethyl 5-nitroisophthalate
Global( 293)Suppliers
Supplier Tel Email Country ProdList Advantage
J & K SCIENTIFIC LTD. 18210857532 18210857532 jkinfo@jkchemical.com China 96815 76
Meryer (Shanghai) Chemical Technology Co., Ltd. 4006356688 18621169109 market03@meryer.com China 40202 62
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30103 84
TCI (Shanghai) Development Co., Ltd. 021-67121386 Sales-CN@TCIchemicals.com China 24512 81
Energy Chemical 400-0056266 sales8178@energy-chemical.com China 44850 61
Zhejiang Jianfeng Haizhou Pharmaceutical Co., Ltd. 0576-88221739 sales@haizhoupharm.com China 44 60
Shanghai Hanhong Scientific Co.,Ltd. 021-54306202 13764082696 info@hanhongsci.com China 42917 64
Shandong Xiya Chemical Co., Ltd 13355009207 13355009207 3007715519@qq.com China 18722 57
Syntechem Co.,Ltd info@syntechem.com China 12973 57
Tianjin heowns Biochemical Technology Co., Ltd. 400 638 7771 sales@heowns.com China 14412 57

View Lastest Price from Methyl 5-nitroisophthalate manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
mono-Meethyl 5-nitroisophthalate pictures 2026-09-11 mono-Meethyl 5-nitroisophthalate
1955-46-0
$40.00 25Kg/Drum 98.00%HPLC 5tons/month Asia Chem I and E (Jiangsu) Co Ltd
Methyl 5-nitroisophthalate pictures 2026-06-30 Methyl 5-nitroisophthalate
1955-46-0
1kg 99% 10000KGS Shaanxi Dideu New Materials Co. Ltd
Methyl 5-nitroisophthalate pictures 2021-08-12 Methyl 5-nitroisophthalate
1955-46-0
$10.00-15.00 1KG 99%+ HPLC Zhuozhou Wenxi import and Export Co., Ltd
MONO-METHYL 5-NITROISOPHTHALATE MONO-METHYL-5-NITROISOPHTHALIC ACID 3-benzenedicarboxylicacid,5-nitro-monomethylester 5-Nirto-iso-phthalicacidmonomethylester METHYL HYDROGEN 5-NITROISOPHTHALATE Methyl 5-nitroisophthalate LABOTEST-BB LT00848268 3-NITRO-5-(METHOXYCARBONYL)BENZOIC ACID mono-Methyle5-nitroisophthalate 1,3-Benzenedicarboxylicacid, 5-nitro-, 1-methyl ester 5-NITROISOPHTHALIC ACID MONOMETHYLESTER3-NITRO-5-(METHOXYCARBONYL)BENZOIC ACID 5-Nitroisophthalic acid monomethyl ester (for Iopromide) mono-Methyl 5-nitroisophthalate,Monomethyl 5-nitrobenzene-1,3-dicarboxylate Methyl Hydrogen 5-Nitroisophthalate 5-Nitroisophthalic Acid Monomethyl Ester MONOMETHYL 5-NITROISOPHTHALATE FOR SYNTH mono-Methyl 5-nitroisophthalate 99% 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 methyl 5-nitrohydrogen.isophthalate monomethyl 5-nitrobenzene-1,3-dicarboxylate 3-Methoxycarbonyl-5-nitrobenzoic aci 5-Nitroisophthalic acid 1-methyl ester 5-Nitroisophthalic acid hydrogen 1-methyl ester mono-Methyl 5-nitroisophthalate,98% 2-methyl-5-nitrobenzene-1,3-dicarboxylate Monomethyl5-Nitroisophthalate> 5-nitroisophthalate monomethyl ester mono-Meethyl 5-nitroisophthalate 5-Nitroisophthalic acid monomethyl ester, 99%, 1-Methyl 5-nitro-1,3-benzenedicarboxylate Adagrasib Impurity 62 5-NITROISOPHTHALIC ACID MONOMETHYL ESTER NITROISOPHTHALIC-5 ACID, MONOMETHYL ESTER 1955-46-0 NO2C6H3COOCH3COOH O2NC6H33CO2HCO2CH3 C9H7NO6 C9H6NO6 CARBOXYLIC ACID Building Blocks C8 to C9 Carbonyl Compounds Organic Building Blocks Esters Phthalic Acids, Esters and Derivatives