4-Chloro-2-methylbenzoic acid - CAS 7499-07-2
Catalog: |
BB035210 |
Product Name: |
4-Chloro-2-methylbenzoic acid |
CAS: |
7499-07-2 |
Synonyms: |
Benzoic acid, 4-chloro-2-methyl-; o-Toluic acid, 4-chloro-; 4-Chloro-o-toluic acid; NSC 407521 |
IUPAC Name: | 4-chloro-2-methylbenzoic acid |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)Cl)C(=O)O |
InChI: | InChI=1S/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | XXFKOBGFMUIWDH-UHFFFAOYSA-N |
Boiling Point: | 300.3±22.0°C at 760 mmHg |
Melting Point: | 166-167°C |
Purity: | 95% |
Density: | 1.310±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to yellow solid |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00045852 |
LogP: | 2.34660 |
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-112441907-A | Method for co-producing mono-substituted methyl benzoic acid and mono-substituted phthalic acid | 20190830 |
US-2020397797-A1 | Heterocyclic compounds | 20190606 |
WO-2020247504-A1 | Heterocyclic compounds | 20190606 |
CN-109970551-A | A kind of preparation method of neighbour's methyl aryl formic acid derivates | 20190415 |
CN-109970551-B | Preparation method of o-methyl aryl formic acid derivative | 20190415 |
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 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS