3-Nitrophthalic anhydride

Base Information Edit

Chemical Name:3-Nitrophthalic anhydride
CAS No.:641-70-3
Molecular Formula:C8H3NO5
Molecular Weight:193.116
Hs Code.:29173980
European Community (EC) Number:211-373-6
NSC Number:27006,4134
UNII:X2BXS9KCY2
DSSTox Substance ID:DTXSID0060939
Nikkaji Number:J3.016C
Wikidata:Q72495921
ChEMBL ID:CHEMBL2057876
Mol file:641-70-3.mol

Synonyms:3-nitrophthalic anhydride

Suppliers and Price of 3-Nitrophthalic anhydride

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Nitrophthalic anhydride
5g
$ 55.00

TRC
3-Nitrophthalic anhydride
1g
$ 50.00

TCI Chemical
3-Nitrophthalic Anhydride >97.0%(GC)(T)
25g
$ 26.00

TCI Chemical
3-Nitrophthalic Anhydride >97.0%(GC)(T)
250g
$ 235.00

SynQuest Laboratories
3-Nitrophthalic anhydride 98%
250 g
$ 176.00

SynQuest Laboratories
3-Nitrophthalic anhydride 98%
100 g
$ 74.00

SynQuest Laboratories
3-Nitrophthalic anhydride 98%
25 g
$ 20.00

Sigma-Aldrich
3-Nitrophthalic anhydride 98%
5g
$ 61.40

Sigma-Aldrich
3-Nitrophthalic anhydride for synthesis
100 g
$ 120.25

Sigma-Aldrich
3-Nitrophthalic anhydride for synthesis. CAS 641-70-3, molar mass 193.11 g/mol., for synthesis
8209030100
$ 126.00

Total 159 raw suppliers

Chemical Property of 3-Nitrophthalic anhydride Edit

Chemical Property:

Appearance/Colour:beige to yellow crystalline powder
Melting Point:163-165 °C(lit.)
Refractive Index:1.4700 (estimate)
Boiling Point:411.8 °C at 760 mmHg
Flash Point:227.5 °C
PSA：89.19000
Density:1.687 g/cm³
LogP:1.42860
Storage Temp.:Store at RT.
Sensitive.:Moisture Sensitive
Water Solubility.:MAY DECOMPOSE
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:193.00112220
Heavy Atom Count:14
Complexity:307

Purity/Quality:

98% ^*data from raw suppliers

3-Nitrophthalic anhydride ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Plastics & Rubber -> Acid Anhydrides, Cyclic
Canonical SMILES:C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC2=O
Uses An intermediate for the synthesis of a benzimidazole PARP inhibitor I (succinate salt) (ABT-472). Reactions with aminoquinazolinones yield phthalimidoquinazolinones. 4-Nitrophthalic Anhydride is an intermediate for the synthesis of the benzimidazole PARP inhibitor I, ABT-472. It reacts with aminoquinazolinones to yield phthalimidoquinazolinones.

Technology Process of 3-Nitrophthalic anhydride

There total 7 articles about 3-Nitrophthalic anhydride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.9%

: 603-11-2
3-nitrophthalic acid

: 641-70-3
3-nitrophthalic acid anhydride

Guidance literature:: With thionyl chloride; N,N-dimethyl-formamide; In cyclohexane; at 5 - 10 ℃; for 3.83333h; Time; Reagent/catalyst; Solvent; Temperature; Reflux;