5-Chloro-2-methylbenzoic acid - CAS 7499-06-1
Catalog: |
BB035209 |
Product Name: |
5-Chloro-2-methylbenzoic acid |
CAS: |
7499-06-1 |
Synonyms: |
Benzoic acid, 5-chloro-2-methyl-; o-Toluic acid, 5-chloro-; 3-Chloro-6-methylbenzoic acid; 5-Chloro-o-toluic acid; NSC 407520 |
IUPAC Name: | 5-chloro-2-methylbenzoic acid |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)Cl)C(=O)O |
InChI: | InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | CSAPESWNZDOAFU-UHFFFAOYSA-N |
Boiling Point: | 293.5±20.0°C at 760 mmHg |
Melting Point: | 169.5-171.0°C |
Purity: | 95% |
Density: | 1.310±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Light Yellow to Light Orange Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00045842 |
LogP: | 2.34660 |
GHS Hazard Statement: | H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021134343-A | A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture. | 20200227 |
CN-112441907-A | Method for co-producing mono-substituted methyl benzoic acid and mono-substituted phthalic acid | 20190830 |
WO-2020112716-A1 | Inhibitors of influenza virus replication | 20181126 |
EP-3887355-A1 | Inhibitors of influenza virus replication | 20181126 |
WO-2019196714-A1 | N-substituted acrylamide derivative as dhodh inhibitor, and preparation and use thereof | 20180411 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0134572 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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