Basic information
- CAS
13373-32-5- Standard SMILES
CC(C)c1ncc([N+](=O)[O-])[nH]1- InChIKey
SQZCZXRYOJJCDU-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- 2-isopropyl-4-nitro-1H-imidazole
- IUPAC
- 5-nitro-2-propan-2-yl-1H-imidazole
- English name
- 2-Isopropyl-4(5)-nitroimidazole
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
2-Isopropyl-4-nitro-1H-imidazole2-Isopropyl-4-nitroimidazoleRefChem:473896236-450-113373-32-5N-Desmethyl Ipronidazole5-nitro-2-propan-2-yl-1H-imidazole2-Isopropyl-4(5)-nitroimidazoleImidazole, 2-isopropyl-4-nitro-MFCD000821784-nitro-2-(propan-2-yl)-1H-imidazole2-(methylethyl)-4-nitroimidazole
Show more names
2-isopropyl-4-nitro-imidazol
EINECS 236-450-12-Isopropyl-5-nitroimidazole1H-Imidazole, 2-(1-methylethyl)-4-nitro-2-(1-Methylethyl)-5-nitro-1H-imidazole; 2-(1-Methylethyl)-4-nitro-1H-imidazole; 2-Isopropyl-4-nitroimidazole; 2-Isopropyl-5-nitroimidazoleIpronidazole-N-desmethylSCHEMBL9775971SCHEMBL11735795DTXSID10158344
Database identifiers
- CAS
13373-32-5- PubChem CID
- 83389
- DTXSID
DTXSID10158344- EC Number
- 236-450-1
- Nikkaji
- J86.851E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
LogP0.9
Physicochemical properties
- Melting point
- 182.5 °C · 182.5°C
- Boiling point
- 278.95 °C · 278.95°C (rough estimate)
- Density
- 1.3092 · 1.3092 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- Pale Yellow
- Water Solubility
- 10.9 g/L · 10.9g/L(20 ºC)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesIpronidazole (I747000) derivative. A nitroimidazole with mutagenic properties.
Suppliers21 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海韵浦实业有限公司21-61726900 15202122459 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
2 records
Compound notes
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