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23491-45-4

Basic Information
CAS No.: 23491-45-4
Name: Phenol,4-[6-(4-methyl-1-piperazinyl)[2,6'-bi-1H-benzimidazol]-2'-yl]-, hydrochloride(1:3)
Molecular Structure:
Molecular Structure of 23491-45-4 (Phenol,4-[6-(4-methyl-1-piperazinyl)[2,6'-bi-1H-benzimidazol]-2'-yl]-, hydrochloride(1:3))
Formula: C25H27Cl3N6O
Molecular Weight: 533.888
Synonyms: Phenol,4-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]-,trihydrochloride (9CI);Phenol,p-[5-[5-(4-methyl-1-piperazinyl)-2-benzimidazolyl]-2-benzimidazolyl]-,trihydrochloride (8CI);2-[2-(4-Hydroxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazyl)-benzimidazoletrihydrochloride;2-[2-(4-Hydroxyphenyl)-6-benzimidazolyl]-6-(1-methyl-4-piperazyl)benzimidazoletrichloride;Bisbenzimide (quenchant);Bisbenzimidetrihydrochloride;H 33258;Hoechst 33258;NSC 322921;Pibenzimol hydrochloride;4-[5-[5-(4-Methyl-1-piperazinyl)-2-benzimidazolyl]-2-benzimidazolyl]phenoltrihydrochloride;
EINECS: 245-690-6
Density: 1.5099 (rough estimate)
Melting Point: 314 °C
Boiling Point: 643.1oC at 760mmHg
Flash Point: 342.7oC
Solubility: soluble in water
Appearance: yellow to yellow-green powder
Hazard Symbols: HarmfulXn
Risk Codes: 22-36/38-36/37/38-20/21/22
Safety: 26-36-24/25-23
Transport Information: N/A
PSA: 84.07000
LogP: 6.63950
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Chemistry

IUPAC Name: 4-[5-[6-(4-Methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one trihydrochloride
Formula: C25H27Cl3N6O
Molecular Weight: 533.88
Molecular Structure of 4-[5-[6-(4-Methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one trihydrochloride (CAS NO.23491-45-4 ):

Melting Point: 314 °C
Flash Point: 342.7 °C 
Enthalpy of Vaporization: 94.9 kJ/mol 
Boiling Point: 643.1 °C at 760 mmHg 
Vapour Pressure: 1.98E-16 mmHg at 25°C 
Appearance: yellow to yellow-green powder

Toxicity Data With Reference

1.    

mmo-sat 100 µmol/L

    AMACCQ    Antimicrobial Agents and Chemotherapy. 9 (1976),77.
2.    

dnd-esc 10 mg/L

    MUREAV    Mutation Research. 89 (1981),95.
3.    

sce-ham:lng 15 µmol/L

    HEREAY    Hereditas. 96 (1982),295.
4.    

sce-ham:ovr 10 µmol/L

    NATUAS    Nature. 258 (1975),121.
5.    

ivn-rat LD50:32,200 µg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. PB84-171206 .
6.    

ivn-mus LD50:36,900 µg/kg

    NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. PB84-171206 .

Safety Profile

Poison by intravenous route. Mutation data reported. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Safety Information about  4-[5-[6-(4-Methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one trihydrochloride (CAS NO.23491-45-4 ):
Hazard Codes: 
Xn:
Risk Statements about  4-[5-[6-(4-Methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one trihydrochloride (CAS NO.23491-45-4 ): R22: Harmful if swallowed.
R36/38: Irritating to eyes and skin.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements about  4-[5-[6-(4-Methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one trihydrochloride (CAS NO.23491-45-4 ) S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
S24/25: Avoid contact with skin and eyes.
S23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).
F3: Hygroscopic.
F8: Photosensitive.
F10: Keep under argon.
WGK Germany: 3
RTECS: SM1140500

Specification

  The chemical synonyms of 4-[5-[6-(4-Methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one trihydrochloride (CAS NO.23491-45-4 ) are 33258hoechst ; 4-(5-(4-Methyl-1-piperazinyl)(2,5’-bi-1h-benzimidazol)-2’-yl)-phenotrihy ; 4-[5-(4-Methyl-1-piperazinyl)[2,5’-bi-1h-benzimidazol]-2’-yl]-phenotrihydr ; Bisbenzimidazoletrihydrochloride ; Bisbenzimidehydrochloride ; Hoe33058 ; Hoechstdye33258 ; Nsc-322921 . This product shoud be storaged at 2-8°C. Hoechst 33258 is  harmful to human beings, please make some protection when operate.