4-Methyl-2-nitrobenzoic acid - CAS 27329-27-7
Catalog: |
BB019534 |
Product Name: |
4-Methyl-2-nitrobenzoic acid |
CAS: |
27329-27-7 |
Synonyms: |
4-methyl-2-nitrobenzoic acid |
IUPAC Name: | 4-methyl-2-nitrobenzoic acid |
Description: | 4-Methyl-2-nitrobenzoic acid (CAS# 27329-27-7) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | CC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11) |
InChI Key: | KZLLSSGOPIGKDO-UHFFFAOYSA-N |
Boiling Point: | 367.6 °C at 760 mmHg |
Density: | 1.392 g/cm3 |
MDL: | MFCD00033899 |
LogP: | 2.12460 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111620397-A | Treatment system and treatment method for nitric acid-containing system | 20200624 |
CN-111792631-A | Device and method for treating nitric acid containing high-boiling-point organic matters | 20200624 |
CN-212450641-U | Nitric acid treatment device containing high-boiling point organic matter | 20200624 |
CN-111495297-A | Continuous nitration reaction system and continuous nitration process of methyl benzoic acid | 20200612 |
CN-212790922-U | Methyl benzoic acid's continuous nitration system | 20200612 |
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: | 2.6 |
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