1,2-Naphthalenedione,6-bromo-

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Names

[ CAS No. ]:
6954-48-9

[ Name ]:
1,2-Naphthalenedione,6-bromo-

[Synonym ]:
Bonaphthone
6-bromo-1,2-naphthoqinone
1,2-NAPHTHOQUINONE,6-BROMO
Bonaphthon
6-BROMO-1,2-NAPHTHALENEDIONE
Bonafton

Chemical & Physical Properties

[ Density]:
1.708g/cm3

[ Boiling Point ]:
363.7ºC at 760 mmHg

[ Molecular Formula ]:
C10H5BrO2

[ Molecular Weight ]:
237.04900

[ Flash Point ]:
147.5ºC

[ Exact Mass ]:
235.94700

[ PSA ]:
34.14000

[ LogP ]:
2.22770

[ Index of Refraction ]:
1.649

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL7400000
CHEMICAL NAME :
1,2-Naphthoquinone, 6-bromo-
CAS REGISTRY NUMBER :
6954-48-9
BEILSTEIN REFERENCE NO. :
1944551
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C10-H5-Br-O2
MOLECULAR WEIGHT :
237.06
WISWESSER LINE NOTATION :
L66 BVVJ HE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 43,337,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
130 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 39,628,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 39,628,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 39,628,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>50 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 39,628,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 39,628,1976 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
700 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 41,109,1978

Safety Information

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 6-Bromo-2-naphthol
  • 1,6-Dibromo-2-naphthol
  • 1,6-dibromo-[2]naphthylamine
  • 2-Naphthol

DownStream

  • 6-bromo-1,2-dimethoxynaphthalene
  • 6-bromonaphthalene-1,2-diol
  • 1-(7-bromo-3,4-dihydroxynaphthalen-2-yl)ethanone
  • 1-(7-bromo-3,4-dihydroxynaphthalen-2-yl)butan-1-one
  • 1-(7-bromo-3,4-dihydroxynaphthalen-2-yl)-2-methylpropan-1-one
  • 1-(7-bromo-3,4-dihydroxynaphthalen-2-yl)pentan-1-one
  • 1-(7-bromo-3,4-dihydroxynaphthalen-2-yl)hexan-1-one
  • 1-(7-bromo-3,4-dihydroxynaphthalen-2-yl)heptan-1-one
  • 1-(7-bromo-3,4-dihydroxynaphthalen-2-yl)octan-1-one
  • 1-(7-bromo-3,4-dihydroxynaphthalen-2-yl)decan-1-one

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 1,2-Naphthalenedione,6-bromo-4-(phenylmethyl)-
  • 1-[[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(3-methylphenyl)thiourea
  • 1-[[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methoxyphenyl)thiourea
  • 1-[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-phenyl-1-propan-2-ylthiourea
  • 1-[2-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)ethyl]-1-ethyl-3-phenylthiourea
  • 1-[2-(6-bromo-2-ethyl-4-oxo-quinazolin-3-yl)ethyl]-1-ethyl-3-phenyl-th iourea