2-Methylterephthalic Acid - CAS 5156-01-4
Catalog: |
BB027493 |
Product Name: |
2-Methylterephthalic Acid |
CAS: |
5156-01-4 |
Synonyms: |
2-methylterephthalic acid; 2-methylterephthalic acid |
IUPAC Name: | 2-methylterephthalic acid |
Description: | 2-Methylterephthalic Acid (CAS# 5156-01-4 ) is a useful research chemical. |
Molecular Weight: | 180.16 |
Molecular Formula: | C9H8O4 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)C(=O)O |
InChI: | InChI=1S/C9H8O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
InChI Key: | UFMBOFGKHIXOTA-UHFFFAOYSA-N |
Boiling Point: | 388.2 °C at 760 mmHg |
Density: | 1.377 g/cm3 |
LogP: | 1.39140 |
GHS Hazard Statement: | H302+H312+H332 (99.36%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429565-A | High-toughness semi-aromatic polyamide resin and preparation method thereof | 20210629 |
CN-113354509-A | Solvent method toluene oxidation coproduction benzaldehyde benzoic acid benzyl propionate | 20210611 |
CN-113248726-A | Method for continuously preparing UiO series metal framework material by mother liquor dehydration circulation | 20210526 |
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CN-112979980-A | MOF-74 hybrid shell structure material and ZIF-90@ MOF-74 hybrid core-shell material | 20210224 |
PMID | Publication Date | Title | Journal |
15113539 | 20040605 | Automated solid phase extraction and quantitative analysis of human milk for 13 phthalate metabolites | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
12899307 | 20030627 | Capillary electrophoretic analysis of the derivatives and isomers of benzoate and phthalate | Journal of chromatography. A |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.04225873 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.04225873 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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