4-[(2-methyl-4,6-dinitro-1H-benzoimidazol-5-yl)amino]phenol

Modify Date: 2025-11-30 20:21:01

4-[(2-methyl-4,6-dinitro-1H-benzoimidazol-5-yl)amino]phenol Structure
4-[(2-methyl-4,6-dinitro-1H-benzoimidazol-5-yl)amino]phenol structure
Common Name 4-[(2-methyl-4,6-dinitro-1H-benzoimidazol-5-yl)amino]phenol
CAS Number 72766-21-3 Molecular Weight 329.26800
Density 1.65g/cm3 Boiling Point 593.8ºC at 760 mmHg
Molecular Formula C14H11N5O5 Melting Point N/A
MSDS N/A Flash Point 312.9ºC

 Names

Name 4-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]phenol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.65g/cm3
Boiling Point 593.8ºC at 760 mmHg
Molecular Formula C14H11N5O5
Molecular Weight 329.26800
Flash Point 312.9ºC
Exact Mass 329.07600
PSA 152.58000
LogP 4.25630
Index of Refraction 1.806
InChIKey ZDDHJRSLKULRKR-UHFFFAOYSA-N
SMILES Cc1nc2c([N+](=O)[O-])c(Nc3ccc(O)cc3)c([N+](=O)[O-])cc2[nH]1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL3082500
CHEMICAL NAME :
Phenol, 4-((4,6-dinitro-2-methyl-1H-benzimidazol-5-yl)amino)-
CAS REGISTRY NUMBER :
72766-21-3
BEILSTEIN REFERENCE NO. :
0055649
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H11-N5-O5
MOLECULAR WEIGHT :
329.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 17,164,1979

 Synonyms

4-(2-methyl-4,6-dinitro-1(3)H-benzimidazol-5-ylamino)-phenol
Phenol,4-((4,6-dinitro-2-methyl-1H-benzimidazol-5-yl)amino)
5-(p-Hydroxyphenylamino)-2-methyl-4,6-dinitrobenzimidazol
4-((4,6-Dinitro-2-methyl-1H-benzimidazol-5-yl)amino)phenol
4-(2-methyl-4,6-dinitro-1(3)H-benzoimidazol-5-ylamino)-phenol
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