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61841-39-2

Basic Information
CAS No.: 61841-39-2
Name: 3-Nitrobenzidine
Article Data: 6
Molecular Structure:
Molecular Structure of 61841-39-2 (3-Nitrobenzidine)
Formula: C12H11N3O2
Molecular Weight: 229.238
Synonyms: 3-Nitro-(1,1-biphenyl)-4,4-diamine;4-(4-aminophenyl)-2-nitro-aniline;(1,1-Biphenyl)-4,4-diamine, 3-nitro-;
Density: 1.339 g/cm3
Boiling Point: 429.8 °C at 760 mmHg
Flash Point: 213.7 °C
PSA: 97.86000
LogP: 4.11180
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    61841-39-2

    3-Nitrobenzidine

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    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production as well as custom synthesis for chemical products and chemical business project. We are supp

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  • (1,1'-BIPHENYL)-4,4'-DIAMINE 2HCLCAS

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    (1,1'-BIPHENYL)-4,4'-DIAMINE 2HCLCAS

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    (1,1'-BIPHENYL)-4,4'-DIAMINE 2HCLCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

    Welcome to Hangzhou Fandachem Co.,Ltd (www.FandaChem.com) Hangzhou Fandachem Co.,Ltd (Fandachem),an experienced and professional China-based Fine Chemical supplier. We supply the

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    3-Nitrobenzidine

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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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