Sodium 2,5-Dichlorobenzoate - CAS 63891-98-5
Catalog: |
BB032313 |
Product Name: |
Sodium 2,5-Dichlorobenzoate |
CAS: |
63891-98-5 |
Synonyms: |
sodium;2,5-dichlorobenzoate; sodium;2,5-dichlorobenzoate |
IUPAC Name: | sodium;2,5-dichlorobenzoate |
Description: | Sodium 2,5-Dichlorobenzoate (CAS# 63891-98-5 ) is a useful research chemical. |
Molecular Weight: | 212.99 |
Molecular Formula: | C7H3Cl2O2Na |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C(=O)[O-])Cl.[Na+] |
InChI: | InChI=1S/C7H4Cl2O2.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1 |
InChI Key: | CXIPPGIFARBNFA-UHFFFAOYSA-M |
LogP: | 1.35690 |
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-110627630-A | Treatment method of diacyl peroxide waste | 20190925 |
TW-201116505-A | Method for producing biaryl compound | 20090731 |
WO-9629067-A1 | Anti-viral and anti-cancer agents | 19950317 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.9407790 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.9407790 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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