6-[(3,5-dibromo-2-hydroxyanilino)methylidene]-4-hexyl-3-hydroxycyclohexa-2,4-dien-1-one

Modify Date: 2025-09-18 19:05:10

6-[(3,5-dibromo-2-hydroxyanilino)methylidene]-4-hexyl-3-hydroxycyclohexa-2,4-dien-1-one Structure
6-[(3,5-dibromo-2-hydroxyanilino)methylidene]-4-hexyl-3-hydroxycyclohexa-2,4-dien-1-one structure
Common Name 6-[(3,5-dibromo-2-hydroxyanilino)methylidene]-4-hexyl-3-hydroxycyclohexa-2,4-dien-1-one
CAS Number 94303-99-8 Molecular Weight 471.18300
Density 1.674g/cm3 Boiling Point 480.2ºC at 760 mmHg
Molecular Formula C19H21Br2NO3 Melting Point N/A
MSDS N/A Flash Point 244.2ºC

 Names

Name 6-[(3,5-dibromo-2-hydroxyanilino)methylidene]-4-hexyl-3-hydroxycyclohexa-2,4-dien-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.674g/cm3
Boiling Point 480.2ºC at 760 mmHg
Molecular Formula C19H21Br2NO3
Molecular Weight 471.18300
Flash Point 244.2ºC
Exact Mass 468.98900
PSA 69.56000
LogP 6.20740
Index of Refraction 1.702
InChIKey QBDUFRUPHMMXJQ-UHFFFAOYSA-N
SMILES CCCCCCc1cc(C=Nc2cc(Br)cc(Br)c2O)c(O)cc1O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH0650000
CHEMICAL NAME :
Resorcinol, 4-(((3,5-dibromo-2-hydroxyphenyl)imino)methyl)-6-hexy l-
CAS REGISTRY NUMBER :
94303-99-8
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H21-Br2-N-O3
MOLECULAR WEIGHT :
471.23
WISWESSER LINE NOTATION :
QR CQ D6 F1UNR BQ CE EE

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 :
300 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 10,528,1962

 Synonyms

4-(((3,5-Dibromo-2-hydroxyphenyl)imino)methyl)-6-hexylresorcinol
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