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3757-31-1

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Basic Information
CAS No.: 3757-31-1
Name: N(SUP.2)-BUTYROYL-5-NITRO-2-FUROHYDRAZIDEIMIDE
Molecular Structure:
Molecular Structure of 3757-31-1 (N(SUP.2)-BUTYROYL-5-NITRO-2-FUROHYDRAZIDEIMIDE)
Formula: C9H12N4O4
Molecular Weight: 240.25
Synonyms: N(sup 2)-Butyroyl-5-nitro-2-furohydrazide imide;Butanoic acid,2-(imino(5-nitro-2-furanyl)methyl)hydrazide;
Density: 1.46g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 129.93000
LogP: 2.78820
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    3757-31-1

    N'-(IMINO(5-NITROFURAN-2-YL)METHYL)BUTYROHYDRAZIDE

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  • N'-(Imino(5-nitrofuran-2-yl)methyl)butyrohydrazide

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    3757-31-1

    N'-(Imino(5-nitrofuran-2-yl)methyl)butyrohydrazide

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Chemistry

Molecular Structure of Butyric acid, 2-(5-nitro-alpha-iminofurfuryl)hydrazide (CAS NO. 3757-31-1):
IUPAC Name: N-[(Z)-[Amino-(5-nitrofuran-2-yl)methylidene]amino]butanamide 
Molecular Formula: C9H12N4O4
Molecular Weight: 240.215980 g/mol
XLogP3-AA: 1
H-Bond Donor: 2
H-Bond Acceptor: 6
Canonical SMILES: CCCC(=O)NN=C(C1=CC=C(O1)[N+](=O)[O-])N
Isomeric SMILES: CCCC(=O)N/N=C(/C1=CC=C(O1)[N+](=O)[O-])\N
InChI: InChI=1S/C9H12N4O4/c1-2-3-7(14)11-12-9(10)6-4-5-8(17-6)13(15)16/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,14)
InChIKey: UUTBLVFYDQGDNV-UHFFFAOYSA-N
Index of Refraction: 1.616
Molar Refractivity: 57.21 cm3
Molar Volume: 163.5 cm3
Surface Tension: 60.7 dyne/cm
Density: 1.46 g/cm3
Water Solubility of Butyric acid, 2-(5-nitro-alpha-iminofurfuryl)hydrazide (CAS NO. 3757-31-1): 328.9 mg/L at 25 °C

Toxicity Data With Reference

1.    

mic-sat 400 ng/plate

     MUREAV    Mutation Research. 140 (1984),169.
2.    

pic-esc 30 nmol/plate

     MUREAV    Mutation Research. 140 (1984),169.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

  Butyric acid, 2-(5-nitro-alpha-iminofurfuryl)hydrazide with cas registry number of 3757-31-1 is called for Butanoic acid, 2-(imino(5-nitro-2-furanyl)methyl)hydrazide ; N(sup 2)-Butyroyl-5-nitro-2-furohydrazide imide .