2-Chloro-6-methylbenzoic acid - CAS 21327-86-6
Catalog: |
BB016770 |
Product Name: |
2-Chloro-6-methylbenzoic acid |
CAS: |
21327-86-6 |
Synonyms: |
2-chloro-6-methylbenzoic acid; 2-chloro-6-methylbenzoic acid |
IUPAC Name: | 2-chloro-6-methylbenzoic acid |
Description: | 2-Chloro-6-methylbenzoic acid (CAS# 21327-86-6) is a useful research chemical. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | CC1=C(C(=CC=C1)Cl)C(=O)O |
InChI: | InChI=1S/C8H7ClO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | CEFMMQYDPGCYMG-UHFFFAOYSA-N |
Boiling Point: | 289.9 ℃ at 760 mmHg |
Melting Point: | 103-105 ℃ |
Purity: | 95 % |
Density: | 1.31 g/cm3 |
Appearance: | White powder |
MDL: | MFCD00045799 |
LogP: | 2.34660 |
GHS Hazard Statement: | H302 (82.61%): 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, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021171455-A1 | Alpha-5 beta-1 inhibitors | 20191210 |
WO-2021119199-A1 | Alpha-5 beta-1 inhibitors | 20191210 |
WO-2021004421-A1 | Alkyne derivative, preparation method for same, and uses thereof | 20190708 |
US-2020039963-A1 | Prc1 inhibitors and methods of treatment therewith | 20180607 |
WO-2019228404-A1 | Novel phosphoinositide 3-kinase inhibitor and preparation method and use thereof | 20180531 |
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: | 2.3 |
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