4-(2-Chloroethyl)benzoic acid - CAS 20849-78-9
Catalog: |
BB016348 |
Product Name: |
4-(2-Chloroethyl)benzoic acid |
CAS: |
20849-78-9 |
Synonyms: |
4-(2-chloroethyl)benzoic acid; 4-(2-chloroethyl)benzoic acid |
IUPAC Name: | 4-(2-chloroethyl)benzoic acid |
Description: | 4-(2-Chloroethyl)benzoic acid (CAS# 20849-78-9) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | C1=CC(=CC=C1CCCl)C(=O)O |
InChI: | InChI=1S/C9H9ClO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12) |
InChI Key: | OOAPBGPLZAFZSO-UHFFFAOYSA-N |
Boiling Point: | 331 °C at 760 mmHg |
Density: | 1.263 g/cm3 |
MDL: | MFCD00013995 |
LogP: | 2.16610 |
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-111029584-A | Positive active material of lithium ion battery, preparation method and application thereof | 20191225 |
BR-112019024142-A2 | ARTICLES CONTAINING ACTIVE AGENT | 20170516 |
BR-112019024146-A2 | FIBROUS STRUCTURE ITEMS CONTAINING ACTIVE AGENT | 20170516 |
CN-110573139-A | Fibrous structure articles containing active agents | 20170516 |
CN-110573140-A | Active agent-containing articles | 20170516 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0291072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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