BENZANTHRONE

Modify Date: 2025-08-25 17:56:36

BENZANTHRONE Structure
BENZANTHRONE structure
 Common Name BENZANTHRONE
CAS Number 82-05-3 Molecular Weight 230.261
Density 1.3±0.1 g/cm3 Boiling Point 436.2±12.0 °C at 760 mmHg
Molecular Formula C17H10O Melting Point 168-170 °C(lit.)
MSDS N/A Flash Point 196.1±14.5 °C

 Names

Name Benzanthrone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 436.2±12.0 °C at 760 mmHg
Melting Point 168-170 °C(lit.)
Molecular Formula C17H10O
Molecular Weight 230.261
Flash Point 196.1±14.5 °C
Exact Mass 230.073166
PSA 17.07000
LogP 4.81
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.735
InChIKey HUKPVYBUJRAUAG-UHFFFAOYSA-N
SMILES O=C1c2ccccc2-c2cccc3cccc1c23
Stability Stable. Incompatible with strong oxidizing agents.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CX5075000
CHEMICAL NAME :
7H-Benz(de)anthracen-7-one
CAS REGISTRY NUMBER :
82-05-3
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C17-H10-O
MOLECULAR WEIGHT :
230.27
WISWESSER LINE NOTATION :
L C6666 1A Q IVJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
290 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
15 gm/kg/30D-I
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in erythrocyte (RBC) count
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
117 gm/kg/34W-I
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other Enzymes

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
3300 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 371,123,1996 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.2 mg/m3 JAN 1993

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
WGK Germany 3
RTECS CX5075000

 Synthetic Route

 BENZANTHRONEBioassay

View more

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: ERK5 transcriptional activity HTS
Source: 24565
Target: N/A
External Id: ERK5 transcriptional activity-HTS
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: EZH2/PRC2 methyltransferase inhibitors Measured in Biochemical System Using Plate Rea...
Source: Broad Institute
Target: histone-lysine N-methyltransferase EZH2 isoform a [Homo sapiens]
External Id: 2125-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

BENZANTHRONE
7H-Benzo[de]anthracen-7-one
de>anthracene-7-one
BENZAMIDE OXIME
benzohydroxamamide
Benzamidoxim
N'-hydroxybenzimdamide
7H-benz<d,e>anthracen-7-one
benzenylaminoxime
benzamidoxide
BENZAMIDOXIME
Tetraphen-12(7H)-one
N-hydroxybenzenecarboximidamide
7-Oxobenz[de]anthracene
EINECS 201-393-3
Benzamidoxine
7H-Benz[de]anthracen-7-one
benzenylamidoxime
7H-benz[d,e]anthracene-7-one
Benzamidrazon*HCl
benzamidrazone hydrochloride
MFCD00003585
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