22891-52-7

22891-52-7 structure

22891-52-7 structure

Name: 2,3-Dihydro-5H-1,4-benzodioxepin-5-one
Chemical Name: 2,3-dihydro-1,4-benzodioxepin-5-one
CAS Number: 22891-52-7
Molecular Formula: C₉H₈O₃
Molecular Weight: 164.15800
Create Date: 2018-10-10 10:57:30
Modify Date: 2024-01-07 11:58:33

Name	2,3-dihydro-1,4-benzodioxepin-5-one
Synonyms	5H-1,4-Benzodioxepin-5-one,2,3-dihydro 2,3-Dihydro-5H-1,4-benzodioxepin-5-one 2,3-Dihydro-5H-1,4-Benzodioxipin-5-One MFCD00236035 2,3-DIBROMOOCTAFLUOROBUTANE

Density	1.238g/cm3
Boiling Point	178-184ºC 15mm
Melting Point	29-31ºC
Molecular Formula	C₉H₈O₃
Molecular Weight	164.15800
Exact Mass	164.04700
PSA	35.53000
LogP	1.23580
Vapour Pressure	9.46E-05mmHg at 25°C
Index of Refraction	1.558

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF4725800

CHEMICAL NAME :: 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-

CAS REGISTRY NUMBER :: 22891-52-7

BEILSTEIN REFERENCE NO. :: 0004464

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H8-O3

MOLECULAR WEIGHT :: 164.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,607,1975

Safety Phrases	S24/25
HS Code	2932999099

99542-03-7 structure

99542-03-7

~72%

22891-52-7 structure

22891-52-7

Literature: Liu, Le; Xu, Shimin; Zhou, Hongwei Tetrahedron, 2013 , vol. 69, # 39 p. 8386 - 8391

22042-72-4 structure

22042-72-4

~92%

22891-52-7 structure

22891-52-7

Literature: Rose, Christopher A.; Zeitler, Kirsten Organic Letters, 2010 , vol. 12, # 20 p. 4552 - 4555

22042-72-4 structure

22042-72-4

~92%

102941-67-3 structure

102941-67-3

22891-52-7 structure

22891-52-7

Literature: Rose, Christopher A.; Zeitler, Kirsten Organic Letters, 2010 , vol. 12, # 20 p. 4552 - 4555

Precursor 1
22042-72-4
DownStream 0

HS Code	2932999099
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%