1-(2H-1-Benzopyran-3-yl)ethanone

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Names

[ CAS No. ]:
51593-70-5

[ Name ]:
1-(2H-1-Benzopyran-3-yl)ethanone

[Synonym ]:
Ketone,2H-1-benzopyran-3-yl methyl
3-ACETYL-2H-CHROMENE
2H-1-BENZOPYRAN,3-ACETYL
2H-1-Benzopyran-3-yl methyl ketone
3-acetyl-2H-1-benzopyran

Chemical & Physical Properties

[ Density]:
1.162g/cm3

[ Boiling Point ]:
317.2ºC at 760 mmHg

[ Molecular Formula ]:
C11H10O2

[ Molecular Weight ]:
174.19600

[ Flash Point ]:
151.1ºC

[ Exact Mass ]:
174.06800

[ PSA ]:
26.30000

[ LogP ]:
2.05140

[ Index of Refraction ]:
1.565

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2110000
CHEMICAL NAME :
2H-1-Benzopyran, 3-acetyl-
CAS REGISTRY NUMBER :
51593-70-5
BEILSTEIN REFERENCE NO. :
1682021
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H10-O2
MOLECULAR WEIGHT :
174.21
WISWESSER LINE NOTATION :
T66 BO CHJ DV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 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: 11,81,1976

Safety Information

[ HS Code ]:
2914190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Salicylaldehyde
  • Methyl vinyl ketone
  • 2-(but-2-ynyloxy)benzaldehyde
  • 2-Methylbenzyl Alcohol
  • 2H-1-Benzopyran-3-carbonitrile
  • METHYLMAGNESIUM BROMIDE

DownStream

Customs

[ HS Code ]: 2914190090

[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Related Compounds

  • 1-(7,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone
  • 1-(2H-1-Benzopyran-3-ylcarbonyl)-4-methylpiperazine
  • 1-(2H-1-Benzopyran-3-ylmethyl)piperidine hydrochloride
  • 1-((6-Chloro-2H-1-benzopyran-3-yl)carbonyl)-4(1H)-pyrimidinimine
  • 1-(3,4-Dihydro-2H-1-benzopyran-3-yl)-4-(4-fluorophenyl)piperazine
  • 1-(3,4-Dihydro-2H-1-benzopyran-3-yl)-4-(2-methoxyphenyl)piperazine