2-Methyl-6-nitrobenzoic acid - CAS 13506-76-8
Catalog: |
BB008067 |
Product Name: |
2-Methyl-6-nitrobenzoic acid |
CAS: |
13506-76-8 |
Synonyms: |
2-methyl-6-nitrobenzoic acid |
IUPAC Name: | 2-methyl-6-nitrobenzoic acid |
Description: | 2-Methyl-nitrobenzoic acid acts as herbicide due to the anthranilic acid moiety within the substructure. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C8H7NO4/c1-5-3-2-4-6(9(12)13)7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | CCXSGQZMYLXTOI-UHFFFAOYSA-N |
Boiling Point: | 352.8 °C at 760 mmHg |
Melting Point: | 309 to 313 °F |
Purity: | 98 % |
Density: | 1.392 g/cm3 |
Solubility: | less than 1 mg/mL at 68 °F |
Appearance: | Pale yellow needles or tan powder. |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00007267 |
LogP: | 2.12460 |
GHS Hazard Statement: | H315 (100%): 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 |
Publication Number | Title | Priority Date |
CN-113072441-A | Preparation method of 2-methoxy-6-methylbenzoic acid | 20210419 |
CN-111718264-A | Method for co-producing 2-methyl-6-nitrobenzoic acid and 3-nitro-2-methylbenzoic acid | 20200716 |
EP-3893258-A1 | Electrolytic capacitor having a tantalum anode | 20200403 |
US-2021313118-A1 | Electrolytic Capacitor Having A Tantalum Anode | 20200403 |
CN-111362806-A | Co-production method of 3-nitro-2-methylbenzoic acid and 3-nitrophthalic acid | 20200330 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03750770 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03750770 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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