Phenoxyacetyl chloride - CAS 701-99-5
Catalog: |
BB034097 |
Product Name: |
Phenoxyacetyl chloride |
CAS: |
701-99-5 |
Synonyms: |
2-phenoxyacetyl chloride |
IUPAC Name: | 2-phenoxyacetyl chloride |
Description: | Phenoxyacetyl chloride (CAS# 701-99-5) is a useful research chemical. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | C1=CC=C(C=C1)OCC(=O)Cl |
InChI: | InChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2 |
InChI Key: | PKUPAJQAJXVUEK-UHFFFAOYSA-N |
Boiling Point: | 225-226 °C |
Melting Point: | 28-30 °C |
Purity: | > 98.0 % (GC) (T) |
Density: | 1.235 g/cm3 |
Appearance: | Colorless to brown liquid |
Storage: | Store at RT. |
LogP: | 1.83080 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22091210 | 20110801 | (2RS,3SR,10SR,11RS)-3,10-Diphen-oxy-18,21-dioxa-5,8-diaza-penta-cyclo-[20.4.0.0.0.0]hexa-cosa-1(26),12,14,16,22,24-hexa-ene-4,9-dione ethyl acetate hemisolvate | Acta crystallographica. Section E, Structure reports online |
21523011 | 20110112 | (3R*,4R*)-1-(4-Chloro-phen-yl)-4-[2-hy-droxy-3-(morpholinomethyl)-phen-yl]-3-phen-oxy-azetidin-2-one | Acta crystallographica. Section E, Structure reports online |
15789551 | 20050101 | A structurally diverse heterocyclic library: a benzothiazepine-fused beta-lactam library derived from reaction of 2,3-dihydro-1,5-benzothiazepines and acyl chlorides: synthesis and stereochemistry | Molecular diversity |
15255689 | 20040722 | Transient silylation of the guanosine O6 and amino groups facilitates N-acylation | Organic letters |
Complexity: | 130 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0134572 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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