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| CAS No.: | 21638-36-8 |
|---|---|
| Name: | Nifurimide |
| Molecular Structure: | |
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| Formula: | C9H10 N4 O4 |
| Molecular Weight: | 238.203 |
| Synonyms: | 2-Imidazolidinone,4-methyl-1-[(5-nitrofurfurylidene)amino]- (8CI);(?à)-4-Methyl-1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone;4-Methyl-1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone;4-Methyl-1-[(5-nitrofurfurylidine)amino]-2-imidazolidinone;NF 1120;Nifurimid;Nifurimide;15179-96-1; |
| Density: | 1.59g/cm3 |
| Melting Point: | 240-240.5 °C (decomp) |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 103.66000 |
| LogP: | 1.72530 |
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Chemistry
Product Name: Nifurimide (CAS NO.21638-36-8)
Molecular Formula: C9H10N4O4
Molecular Weight: 238.2001g/mol
Mol File: 21638-36-8.mol
Density: 1.599 g/cm3
Surface Tension: 68.49 dyne/cm
XLogP3-AA: 1
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Nifurimide (CAS NO.21638-36-8):
IUPAC Name: 4-Methyl-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidin-2-one
Canonical SMILES: CC1CN(C(=O)N1)N=CC2=CC=C(O2)[N+](=O)[O-]
Isomeric SMILES: CC1CN(C(=O)N1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI: InChI=1S/C9H10N4O4/c1-6-5-12(9(14)11-6)10-4-7-2-3-8(17-7)13(15)16/h2-4,6H,5H2,1H3,(H,11,14)/b10-4+
InChIKey: BJUPUKIYTMVLCW-ONNFQVAWSA-N
Toxicity Data With Reference
| 1. | mma-sat 100 ng/plate | MUREAV Mutation Research. 48 (1977),295. | ||
| 2. | mmo-esc 500 nmol/well | CNREA8 Cancer Research. 34 (1974),2266. |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Specification
Nifurimide , its CAS NO. is 21638-36-8, the synonyms are (+-)-4-Methyl-1-((5-nitrofurfurylidene)amino)-2-imidazolidinone ; 2-Imidazolidinone, 4-methyl-1-(((5-nitro-2-furanyl)methylene)amino)-, (+-)- ; 4-Methyl-1-((5-nitrofurfurylidene)amino)-2-imidazolidinone ; 4-Methyl-1-((5-nitrofurfurylidine)amino)-2-imidazolidinone ; CCRIS 1141 ; NF 1120 ; Nifurimid ; UNII-NII0A33SQL ; 2-Imidazolidinone, 4-methyl-1-(((5-nitro-2-furanyl)methylene)amino)- ; 2-Imidazolidinone, 4-methyl-1-((5-nitrofurfurylidne)amino)- .