2-Amino-3-nitrobenzoic Acid - CAS 606-18-8
Catalog: |
BB030748 |
Product Name: |
2-Amino-3-nitrobenzoic Acid |
CAS: |
606-18-8 |
Synonyms: |
2-amino-3-nitrobenzoic acid; 2-amino-3-nitrobenzoic acid |
IUPAC Name: | 2-amino-3-nitrobenzoic acid |
Description: | 2-Amino-3-nitrobenzoic Acid (CAS# 606-18-8) is a compound useful in organic synthesis. |
Molecular Weight: | 182.13 |
Molecular Formula: | C7H6N2O4 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O |
InChI: | InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11) |
InChI Key: | JJPIVRWTAGQTPQ-UHFFFAOYSA-N |
Boiling Point: | 390.4 °C at 760 mmHg |
Density: | 1.568 g/cm3 |
MDL: | MFCD00024261 |
LogP: | 1.97960 |
GHS Hazard Statement: | H302 (89.13%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112028811-A | 4-iodo-indole compound and preparation method thereof | 20200527 |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
CN-111253271-A | Method for preparing 2-amino-3-nitrobenzoic acid methyl ester | 20200211 |
WO-2021155194-A1 | Therapeutic peptides | 20200129 |
WO-2021097256-A1 | Cxcr4 antagonist peptides | 20191114 |
PMID | Publication Date | Title | Journal |
22347091 | 20120201 | 2-Amino-3-nitro-benzoic acid | Acta crystallographica. Section E, Structure reports online |
21754293 | 20110501 | (2-Amino-3-nitro-benzoato-κO)triphenyl-tin(IV) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.03275668 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 109 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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