3-Chloro-4-methylbenzoic acid - CAS 5162-82-3
Catalog: |
BB027522 |
Product Name: |
3-Chloro-4-methylbenzoic acid |
CAS: |
5162-82-3 |
Synonyms: |
3-chloro-4-methylbenzoic acid; 3-chloro-4-methylbenzoic acid |
IUPAC Name: | 3-chloro-4-methylbenzoic acid |
Description: | 3-Chloro-4-methylbenzoic acid (CAS# 5162-82-3) is a useful research chemical. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)O)Cl |
InChI: | InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
InChI Key: | SDKUOEOJAXGCLU-UHFFFAOYSA-N |
Boiling Point: | 304.5 °C at 760 mmHg |
Melting Point: | 208-209 °C |
Purity: | 98 % |
Density: | 1.31 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00045841 |
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 |
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 |
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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: | 3.1 |
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