| Identification | More | [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 Properties | Back 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 | [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) | [EPA Substance Registry System]
1955-46-0(EPA Substance) |
| Safety Data | Back 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 | [REACH Registrations]
Active | [HS Code ]
29173980 | [Storage Class]
13 - Non Combustible Solids |
| Hazard Information | Back 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 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Maya High Purity Chemicals
|
| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
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