1-N,4-N-dibromo-2-methoxycyclohexa-2,5-diene-1,4-diimine

Modify Date: 2024-01-11 16:56:05

1-N,4-N-dibromo-2-methoxycyclohexa-2,5-diene-1,4-diimine Structure
1-N,4-N-dibromo-2-methoxycyclohexa-2,5-diene-1,4-diimine structure
Common Name 1-N,4-N-dibromo-2-methoxycyclohexa-2,5-diene-1,4-diimine
CAS Number 90932-86-8 Molecular Weight 293.94300
Density 1.87g/cm3 Boiling Point 298.8ºC at 760 mmHg
Molecular Formula C7H6Br2N2O Melting Point N/A
MSDS N/A Flash Point 134.5ºC

 Names

Name 1-N,4-N-dibromo-2-methoxycyclohexa-2,5-diene-1,4-diimine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.87g/cm3
Boiling Point 298.8ºC at 760 mmHg
Molecular Formula C7H6Br2N2O
Molecular Weight 293.94300
Flash Point 134.5ºC
Exact Mass 291.88500
PSA 33.95000
LogP 2.58830
Index of Refraction 1.614
InChIKey JWIJZVGXGSQZDI-YOYBCKCWSA-N
SMILES COC1=CC(=NBr)C=CC1=NBr

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4831000
CHEMICAL NAME :
2,5-Cyclohexadiene-1,4-diimine, N,N'-dibromo-2-methoxy-
CAS REGISTRY NUMBER :
90932-86-8
BEILSTEIN REFERENCE NO. :
3266646
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H6-Br2-N2-O
MOLECULAR WEIGHT :
293.97

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 :
175 mg/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: 19,101,1984

 Synthetic Route

~27%

1-N,4-N-dibromo-2-methoxycyclohexa-2,5-diene-1,4-diimine Structure

1-N,4-N-dibromo...

CAS#:90932-86-8

Literature: Hodnett; Prakash European Journal of Medicinal Chemistry, 1984 , vol. 19, # 2 p. 101 - 104

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

methoxy-[1,4]benzoquinone-4-(4-dimethylamino-phenylimine)
4-[(p-Dimethylaminophenyl)imino]-2-methoxy-2,5-cyclohexadien-1-one
Methoxy-[1,4]benzochinon-bis-bromimin
Methoxy-[1,4]benzochinon-4-(4-dimethylamino-phenylimin)
methoxy-[1,4]benzoquinone-bis-bromoimine
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