Basic information
- CAS
40341-04-6- Standard SMILES
Cc1cc(C)n(-c2nc3ccccc3[nH]2)n1- InChIKey
RUGYNGIMTAFTLP-UHFFFAOYSA-N- Molecular formula
- C12H12N4
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.1061964
Names & identifiers
- Preferred name
- Rabenzazole
- IUPAC
- 2-(3,5-dimethylpyrazol-1-yl)-1H-benzimidazole
- English name
- RABENZAZOLE
- Molecular formula
- C12H12N4
- Molecular weight
- 212.25
Names & synonyms
RabenzazoleRabenzazole [ISO]1-Benzimidazolyl-3,5-dimethylpyrazole2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1H-benzimidazoleBRN 0959559EINECS 254-882-9UNII-1545W9H5TZ2-(3,5-Dimethyl-1-pyrazolyl)benzimidazole1545W9H5TZBENZIMIDAZOLE, 2-(3,5-DIMETHYL-1-PYRAZOLYL)-DTXSID201933425-25-17-00399 (Beilstein Handbook Reference)
Show more names
RABENZAZOLrabenzazole (bsi,iso)Rabenzazole in AcetonitrileRabenzazol 100 μg/ml AcetonitrileRABENZAZOL PESTANAL (1-BENZIMIDAZOL-YL-32-(3,5-dimethyl-1-pyrazolyl)-benzimidazol2-(3,5-dimethyl-1h-pyrazol-1-yl)-1h-benzimidazol
1H-Benzimidazole, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(3,5-dimethylpyrazol-1-yl)benzimidazoleRefChem:178491DTXCID301158331H-Benzimidazole, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-(10CI)RUGYNGIMTAFTLP-UHFFFAOYSA-N40341-04-62-(3,5-Dimethyl-1H-pyrazol-1-yl)-1H-benzo[d]imidazole
Database identifiers
- CAS
40341-04-6- PubChem CID
- 38441
- DTXSID
DTXSID20193342- ChEMBL
CHEMBL2288250- UNII
- 1545W9H5TZ
- EC Number
- 254-882-9
- Nikkaji
- J11.645I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 134 · 134-136 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Boiling point
- 443.8 · 443.8±48.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- Flash point
- 100 °C · 100 °C
- storage temp.
- 4 °C · APPROX 4°C
- pka
- 10.63 · 10.63±0.10(Predicted)
- FDA UNII
- 1545 W9H5TZ · 1545W9H5TZ
- Safety Statements
- 22 · 22-24/25
- RTECS
- 8780000 · DD8780000
- Toxicity
- 50 · mouse,LD50,intraperitoneal,660mg/kg (660mg/kg),Pharmaceutical Chemistry Journal Vol. 14, Pg. 383, 1980.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- DD8780000
- Toxicity
- mouse,LD50,intraperitoneal,660mg/kg (660mg/kg),Pharmaceutical Chemistry Journal Vol. 14, Pg. 383, 1980.
- safety_code
- 22-24/25
Chemistry & industry
Applications
UsesRabenzazol is a pyrazole fungicide used to treat plants and vegetables. Pesticide component.
Upstream & downstream products
Upstream raw materials
Suppliers19 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…