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68654-25-1

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Basic Information
CAS No.: 68654-25-1
Name: DIBROMOBIMANE
Article Data: 4
Molecular Structure:
Molecular Structure of 68654-25-1 (DIBROMOBIMANE)
Formula: C10H10 Br2 N2 O2
Molecular Weight: 350.00
Synonyms: Dibromobimane;NSC 608550; Thiolyte BB
Density: 1.98g/cm3
Melting Point: 170-172oC(lit.)
Boiling Point: 371.8°Cat760mmHg
Flash Point: 178.6°C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 4189453
PSA: 42.96000
LogP: 1.60360
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Chemistry


IUPAC Name: 1,7-Bis(bromomethyl)-2,6-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
Canonical SMILES: CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)CBr
InChI: InChI=1S/C10H10Br2N2O2/c1-5-7(3-11)13-8(4-12)6(2)10(16)14(13)9(5)15/h3-4H2,1-2H3 
InChIKey: OSIYFMVMZXJKSP-UHFFFAOYSA-N
Molecular Weight: 350.0066 [g/mol]  
Molecular Formula: C10H10Br2N2O2  
XLogP3-AA: 1.6  
H-Bond Donor: 0  
H-Bond Acceptor: 3
Product Categories: NONE; Pyrazole; Nitric Oxide Reagents; Cross Linking Reagents; Fluorescent Labels & Indicators; MTS & Sulfhydryl Active Reagents; Biochemicals and Reagents; DetectionFluorescent Probes, Labels, Particles and Stains; Fluorescent Labels; Fluorescent Probes, Labels, Particles and Stains; Functional Group Reactive Labels; Functional Group Reactive Labels for SpectroscopyFluorescent Probes, Labels, Particles and Stains; Other Fluorescent Labels; Other
Appearance: Yellow Solid
Melting Point: 170-172 °C(lit.)
storage temp.: 2-8 °C
solubility: DMF: soluble
Index of Refraction: 1.677 
Molar Refractivity: 66.61 cm3 
Molar Volume: 176.6 cm3
Surface Tension: 64.3 dyne/cm 
Density: 1.98 g/cm3 
Flash Point: 178.6 °C 
Enthalpy of Vaporization: 61.88 kJ/mol 
Boiling Point: 371.8 °C at 760 mmHg 
Vapour Pressure of Dibromobimane (CAS NO.68654-25-1): 1.01E-05 mmHg at 25 °C 

Uses

 Dibromobimane (CAS NO.68654-25-1) is used as a cross linking reagent for proteins, thiols in myosin, hemoglobin and mitochondrial ATPase.

Safety Profile

Hazard Codes:IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany of Dibromobimane (CAS NO.68654-25-1): 3

Specification

 Dibromobimane (CAS NO.68654-25-1), its Synonyms are 1H,7H-Pyrazolo(1,2-a)pyrazole-1,7-dione, 3,5-bis(bromomethyl)-2,6-dimethyl- ; 3,5-Bis-bromomethyl-2,6-dimethylpyrazolo[1,2-a]pyrazole-1,7-dione ; 9,10-Dioxa-syn-(bromomethyl,methyl)bimane .