2-Amino-4-nitrobenzoic Acid - CAS 619-17-0
Catalog: |
BB031322 |
Product Name: |
2-Amino-4-nitrobenzoic Acid |
CAS: |
619-17-0 |
Synonyms: |
2-amino-4-nitrobenzoic acid; 2-amino-4-nitrobenzoic acid |
IUPAC Name: | 2-amino-4-nitrobenzoic acid |
Description: | 2-Amino-4-nitrobenzoic Acid (CAS# 619-17-0) is a useful research chemical. |
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/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11) |
InChI Key: | UEALKTCRMBVTFN-UHFFFAOYSA-N |
Boiling Point: | 431.4 °C at 760 mmHg |
Melting Point: | 514 to 518 °F (decomposes) |
Density: | 1.568 g/cm3 |
Solubility: | less than 0.1 mg/mL at 72 °F |
Appearance: | Orange prisms (dil alcohol) |
MDL: | MFCD00007262 |
LogP: | 1.97960 |
Vapor Pressure: | 0.00000293 [mmHg] |
GHS Hazard Statement: | H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22090837 | 20110801 | Poly[di-μ-aqua-bis-(μ-2-amino-4-nitro-benzoato)dicaesium] | Acta crystallographica. Section E, Structure reports online |
21578381 | 20091017 | 1-(2-Methyl-5-nitro-phenyl)guanidinium picrate | Acta crystallographica. Section E, Structure reports online |
18326866 | 20080701 | ECVAM retrospective validation of in vitro micronucleus test (MNT) | Mutagenesis |
21201454 | 20080111 | 7-Nitro-quinazolin-4(3H)-one | Acta crystallographica. Section E, Structure reports online |
16097390 | 20050101 | Urinary metabolites of workers exposed to nitrotoluenes | Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals |
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: | 1.9 |
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