3-Nitrobenzidine supplier | CasNO.61841-39-2

Name
3-Nitrobenzidine
EINECS
CAS No. 61841-39-2
Article Data6
CAS DataBase
Density 1.339 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁N₃O₂
Boiling Point 429.8 °C at 760 mmHg
Molecular Weight 229.238
Flash Point 213.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Nitro-(1,1-biphenyl)-4,4-diamine;4-(4-aminophenyl)-2-nitro-aniline;(1,1-Biphenyl)-4,4-diamine, 3-nitro-;
PSA 97.86000
LogP 4.11180

3-Nitrobenzidine Specification

The 3-Nitrobenzidine, with the CAS registry number of 61841-39-2, is also known as 4, 4'-Diamino-3-nitro-1, 1'-biphenyl. This chemical's molecular formula is C₁₂H₁₁N₃O₂ and molecular weight is 229.2346. What's more, its IUPAC name is 4-(4-Aminophenyl)-2-nitroaniline. This chemical's classification code is Mutation Data.

Physical properties about 3-Nitrobenzidine are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 29.51; (6)ACD/BCF (pH 7.4): 30.54; (7)ACD/KOC (pH 5.5): 388.56; (8)ACD/KOC (pH 7.4): 402.18; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.3 Å²; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 65.86 cm³; (15)Molar Volume: 171.1 cm³; (16)Surface Tension: 66 dyne/cm; (17)Density: 1.339 g/cm³; (18)Flash Point: 213.7 °C; (19)Enthalpy of Vaporization: 68.51 kJ/mol; (20)Boiling Point: 429.8 °C at 760 mmHg; (21)Vapour Pressure: 1.37E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(ccc1N)c2ccc(N)cc2
(2) InChI: InChI=1/C12H11N3O2/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(7-9)15(16)17/h1-7H,13-14H2
(3) InChIKey: OESUYYFUIPUBIV-UHFFFAOYAF

Product Name

3-Nitrobenzidine

3-Nitrobenzidine Specification

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