485-31-4

Name BINAPACRYL
CAS 485-31-4
EINECS(EC#) 207-612-9
Molecular Formula C15H18N2O6
MDL Number MFCD00055425
Molecular Weight 322.31
MOL File 485-31-4.mol

Chemical Properties

Definition Generic name for 2-sec-butyl-4,6- dinitrophenyl-3-methyl-2-butenoate. C1 5 H8O 6 N2.
Melting point  68-69℃
Boiling point  460.94°C (rough estimate)
density  1.238
refractive index  1.6280 (estimate)
storage temp.  0-6°C
color  Crystals or powder
Merck  13,1224
Henry's Law Constant 2.2×102 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI 1S/C15H18N2O6/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3/h6-8,10H,5H2,1-4H3
InChIKey ZRDUSMYWDRPZRM-UHFFFAOYSA-N
SMILES CCC(C)c1cc(cc(c1OC(=O)\C=C(/C)C)[N+]([O-])=O)[N+]([O-])=O
EPA Substance Registry System Binapacryl (485-31-4)

Safety Data

Hazard Codes  T,N
Risk Statements 
Safety Statements 
RIDADR  2779
WGK Germany  WGK 3
RTECS  GQ5600000
HazardClass  6.1(b)
PackingGroup  III
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Repr. 1B
Hazardous Substances Data 485-31-4(Hazardous Substances Data)
Toxicity
LD50 in female, male rats (mg/kg): 58, 63 orally (Gaines)

Hazard Information

Spectrum Detail

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