4A,5,8,8a-Tetrahydro-[1,4]naphthoquinone

Names

[ CAS No. ]:
6271-40-5

[ Name ]:
4A,5,8,8a-Tetrahydro-[1,4]naphthoquinone

[Synonym ]:
4a,5,8,8a-Tetrahydro-1,4-naphthoquinone
1,4-Naphthalenedione,4A,5,8,8A-tetrahydro
1,4-Naphthoquinone,4A,5,8,8A-tetrahydro
4a,5,8,8a-tetrahydronaphtho-1,4-quinone
5,8,9,10-tetrahydro-1,4-naphthoquinone
4a,5,5,8a-tetrahydro-1,4-naphthoquinone
4a,5,8,8a-tetrahydronaphthoquinone-1,4-dione
Wln: L66 bv ev cu hutj

Chemical & Physical Properties

[ Density]:
1.175g/cm3

[ Boiling Point ]:
295.1ºC at 760mmHg

[ Molecular Formula ]:
C10H10O2

[ Molecular Weight ]:
162.18500

[ Flash Point ]:
110.1ºC

[ Exact Mass ]:
162.06800

[ PSA ]:
34.14000

[ LogP ]:
1.27680

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL9450000
CHEMICAL NAME :
1,4-Naphthoquinone, 4a,5,8,8a-tetrahydro-
CAS REGISTRY NUMBER :
6271-40-5
LAST UPDATED :
199112
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H10-O2
MOLECULAR WEIGHT :
162.20
WISWESSER LINE NOTATION :
L66 BV EV CU HUTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
125 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,224,1954

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • butadiene
  • 1,4-Benzoquinone
  • 1,2-butadiene
  • benzene

DownStream

  • 5,8-Dimethoxy-2-tetralone
  • 5,8-DIMETHOXY-1,4-DIHYDRO-NAPHTHALENE
  • 1,4-naphthoquinone
  • 1,4-Naphthalenediol,5,8-dihydro-
  • 1a,2,7,7a-Tetrahydro-3,6-dimethoxy-naphth[2,3-b]oxirene
  • (4-acetyloxy-5,8-dihydronaphthalen-1-yl) acetate
  • Naphth[2,3-b]oxirene-3,6-diol, 1a,2,7,7a-tetrahydro-, diacetate
  • 5,12-dihydroxy-3,4-dihydro-1H-tetracene-2,6,11-trione
  • 5,8-dihydronaphthalene-1,4-dione
  • 5,12-Naphthacenedione,6-hydroxy-

Related Compounds

  • cis-4a,5,8,8a-tetrahydro-[1,4]naphthoquinone
  • (+/-)-6-ethoxy-(4ar,8ac)-4a,5,8,8a-tetrahydro-[1,4]naphthoquinone
  • 2,3,4a,8a-tetrachloro-(4ar,8ac)-4a,5,8,8a-tetrahydro-[1,4]naphthoquinone
  • (4aR,8aS)-6,7-Dimethyl-2-phenyl-4a,5,8,8a-tetrahydro-[1,4]naphthoquinone
  • 2,8a-Dimethyl-8-trimethylsilanyl-4a,5,8,8a-tetrahydro-[1,4]naphthoquinone
  • 2,8a-Dimethyl-5-trimethylsilanyl-4a,5,8,8a-tetrahydro-[1,4]naphthoquinone