2-Chloro-5-methylbenzoic acid - CAS 6342-60-5
Catalog: |
BB032138 |
Product Name: |
2-Chloro-5-methylbenzoic acid |
CAS: |
6342-60-5 |
Synonyms: |
2-chloro-5-methylbenzoic acid; 2-chloro-5-methylbenzoic acid |
IUPAC Name: | 2-chloro-5-methylbenzoic acid |
Description: | 2-Chloro-5-methylbenzoic acid (CAS# 6342-60-5) is a useful research chemical. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)Cl)C(=O)O |
InChI: | InChI=1S/C8H7ClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | LEBWXJZAWTVKFL-UHFFFAOYSA-N |
Boiling Point: | 291.3 °C at 760 mmHg |
Melting Point: | 148-151 °C |
Purity: | 95 % |
Density: | 1.31 g/cm3 |
Appearance: | Off-white to beige powder |
MDL: | MFCD00045798 |
LogP: | 2.34660 |
GHS Hazard Statement: | H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P391, 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 |
CN-110229114-A | One kind removing C2The chiral double oxazoline ligands of symmetry hexichol amine type and its synthetic method and application | 20190531 |
WO-2020238559-A1 | De-c2-symmetric diphenylamine-type chiral bisoxazoline ligand, synthesis method therefor and use thereof | 20190531 |
JP-2020109086-A | Pharmaceutical composition | 20181228 |
PMID | Publication Date | Title | Journal |
21579467 | 20100519 | 2-[4-Chloro-3-(4-ethoxy-benz-yl)phen-yl]-1,3-dithiane | Acta crystallographica. Section E, Structure reports online |
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: | 3.2 |
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