3,3'-Diaminobenzidine (91-95-2) IR1
Product Name3,3'-Diaminobenzidine
CAS91-95-2
Molecular FormulaC12H14N4
Molecular Weight214.27
InChIInChI=1S/C12H14N4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H,13-16H2
InChIKey HSTOKWSFWGCZMH-UHFFFAOYSA-N
SmilesC1(C2=CC=C(N)C(N)=C2)=CC=C(N)C(N)=C1
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MassMS-NW-7955 3,3',4,4'-biphenyltetramine C12H14N4 (Mass of molecular ion: 214)
Source Temperature: 170 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 2.3 51.0 1.2 52.0 1.4 54.0 1.2 63.0 1.0 65.0 1.1 77.0 1.1 78.0 1.3 79.0 2.2 80.0 1.3 84.0 1.5 85.0 1.3 92.0 1.1 93.0 4.3 107.0 10.0 108.0 1.8 115.0 2.1 116.0 1.0 117.0 1.0 130.0 1.2 140.0 1.3 142.0 1.4 143.0 1.1 145.0 1.3 152.0 1.0 153.0 1.6 154.0 1.2 158.0 1.2 168.0 1.4 169.0 3.2 170.0 1.2 171.0 1.2 179.0 1.0 181.0 1.2 186.0 15.8 187.0 2.1 196.0 4.6 197.0 2.1 199.0 1.8 213.0 7.5 214.0 100.0 215.0 13.9 216.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H14 N4 0.033 g : 0.5 ml DMSO-d6 3,3',4,4'-biphenyltetramine 
Assign. Shift(ppm)
A 6.690 B 6.538 C 6.499 D 4.40
Hz ppm Int.2674.93 6.694 720 2672.97 6.689 757 2628.30 6.577 23 2624.63 6.568 25 2619.63 6.555 264 2617.68 6.550 230 2611.69 6.535 549 2609.74 6.531 549 2600.10 6.506 1000 2592.16 6.487 460 1756.59 4.396 464
in DMSO-d6
KBr disc
nujol mull
