CAS No.90-41-5,2-Aminodiphenyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90-41-5
Name:	2-Aminodiphenyl
Article Data:	299

Formula:	C₁₂H₁₁N
Molecular Weight:	169.226
Synonyms:	2-Aminodiphenyl;(1,1'-Biphenyl)-2-amine;2-Aminobifenyl;2-Aminodiphenyl;o-Aminobiphenyl;o-Biphenylamine;Biphenyl-2-ylamine;BRN 0471874;
EINECS:	201-990-9
Density:	1.077 g/cm³
Melting Point:	47-50 °C(lit.)
Boiling Point:	299 °C at 760 mmHg
Flash Point:	149.9 °C
Solubility:	Insoluble in water
Appearance:	colourless to purple crystalline solid
Hazard Symbols:	Xn
Risk Codes:	20-40-52/53
Safety:	36/37-61
PSA:	26.02000
LogP:	3.51700

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Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

Standards and Recommendations

CONTENT: 98.0% min
INDIVIDUAL IMPURITY: 1.5% max

Specification

The 2-Aminodiphenyl, with the CAS registry number 90-41-5, is also known as 2-Phenylbenzenamine. It belongs to the product categories of Amines and Anilines; Biphenyl & Diphenyl ether; Amines; Aromatics; Mutagenesis Research Chemicals. Its EINECS number is 201-990-9. This chemical's molecular formula is C₁₂H₁₁N and molecular weight is 169.22. What's more, its systematic name is biphenyl-2-amine. Its classification code is Mutation data. It should be sealed and protected from light. It has a mutagenic potency. It is used as an intermediate for the synthesis of organic compounds including pharmaceuticals, antifungal agents, optical brightening agents and dyes. It is also used in luminescence chemistry, spectrophotometric analysis, molecular chemistry, and as a stating material for organometallic-complexes. And it can be also used for manufacturing carbazole resin and synthetizing rubber.

Physical properties of 2-Aminodiphenyl are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 62.95; (6)ACD/BCF (pH 7.4): 64.22; (7)ACD/KOC (pH 5.5): 671.15; (8)ACD/KOC (pH 7.4): 684.72; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 55.08 cm³; (15)Molar Volume: 156.9 cm³; (16)Polarizability: 21.83×10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.077 g/cm³; (19)Flash Point: 149.9 °C; (20)Enthalpy of Vaporization: 53.9 kJ/mol; (21)Boiling Point: 299 °C at 760 mmHg; (22)Vapour Pressure: 0.00123 mmHg at 25°C.

Preparation: this chemical can be prepared by phenylboronic acid and 2-iodo-aniline. This reaction will need reagent Na₂CO₃ and solvent dimethylformamide. This reaction will also need catalyst resin-plug bound Pd. The yield is about 82%.

2-Aminodiphenyl can be prepared by phenylboronic acid and 2-iodo-aniline

Uses of 2-Aminodiphenyl: it can be used to produce N-biphenyl-2-yl-toluene-4-sulfonamide by heating. It will need reagent pyridine with the reaction time of 4 hours. The yield is about 85%.

2-Aminodiphenyl can be used to produce N-biphenyl-2-yl-toluene-4-sulfonamide by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation. It has a limited evidence of a carcinogenic effect. It is harmful to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. When using it, you need wear suitable protective clothing and gloves. It should be avoided releasing to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2
(2)InChIKey: TWBPWBPGNQWFSJ-UHFFFAOYSA-N
(3)Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC=C2N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	oral	10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	National Toxicology Program Technical Report Series. Vol. NTP-TR-233, Pg. 1982.
rabbit	LD50	oral	1020mg/kg (1020mg/kg)	BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Journal of Industrial Hygiene and Toxicology. Vol. 29, Pg. 1, 1947.
rat	LD50	oral	2340mg/kg (2340mg/kg)	BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Journal of Industrial Hygiene and Toxicology. Vol. 29, Pg. 1, 1947.