1-Methyl 2-nitroterephthalate - CAS 35092-89-8
Catalog: |
BB022422 |
Product Name: |
1-Methyl 2-nitroterephthalate |
CAS: |
35092-89-8 |
Synonyms: |
4-methoxycarbonyl-3-nitrobenzoic acid |
IUPAC Name: | 4-methoxycarbonyl-3-nitrobenzoic acid |
Description: | 1-Methyl 2-nitroterephthalate (CAS# 35092-89-8) is a useful research chemical. |
Molecular Weight: | 225.15 |
Molecular Formula: | C9H7NO6 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12) |
InChI Key: | MIIADZYPHVTLPR-UHFFFAOYSA-N |
Boiling Point: | 393.4 ℃ at 760 mmHg |
Purity: | 95+ % |
Density: | 1.484 g/cm3 |
Appearance: | White to off-white powder or crystals |
MDL: | MFCD00024510 |
LogP: | 1.60280 |
GHS Hazard Statement: | H315 (55.13%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111592465-A | Method for preparing 2-amino-4-aminomethyl methyl benzoate and hydrochloride thereof | 20190220 |
EP-3521269-A1 | Process for preparation of 1-nitrobenzene-2-alkyloxycarbonyl-5-carboxylic acid | 20180206 |
AU-2018215678-A1 | Compositions and methods of modulating short-chain dehydrogenase activity | 20170206 |
CN-110573154-A | Compositions and methods for modulating short-chain dehydrogenase activity | 20170206 |
EP-3576737-A1 | Compositions and methods of modulating short-chain dehydrogenase activity | 20170206 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.02733694 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.02733694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 109 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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