1,3-Diphenyltriazene

C₁₂H₁₁N₃CAS 136-35-6197.24 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₂H₁₁N₃
Molar mass: 197.24 g/mol
Exact mass: 197.0953 Da
Melting point: 98 °C
Boiling point: 38 °C (at 50 Torr)
Water solubility: < 1 g/L (22.2 °C)
logP: 3.80Crippen estimate
Polar surface area: 36.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin95.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

136-35-6

SMILES

c1ccc(N=NNc2ccccc2)cc1

InChIKey

ALIFPGGMJDWMJH-UHFFFAOYSA-N

InChI

InChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1-Triazene, 1,3-diphenyl-
Triazene, 1,3-diphenyl-
1,3-Diphenyl-1-triazene
Diazoaminobenzene
Aniline, N-(phenylazo)-
NSC 2077
N1,N3-Diphenyltriazene
DAB

Reactions

DIAZOAMINOBENZENE (Triazene, 1,3-diphenyl-)product

Work with 1,3-Diphenyltriazene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Phenylazo)diphenylamine101-75-754 % similar Azobenzene103-33-352 % similar 1,3,5-Triphenylformazan531-52-250 % similar Diphenylcarbazone538-62-550 % similar Dithizone60-10-650 % similar Diminazene536-71-044 % similar N,N′,N′′-Triphenylguanidine101-01-941 % similar Diphenylhydrazone588-64-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2Pz-cn23996-12-5 Aniline yellow60-09-3 3,6-Diaminocarbazole86-71-5

Elsewhere

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