CAS No.6025-60-1,1-(2-AMINOPHENYL)PYRROLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6025-60-1
Name:	1-(2-AMINOPHENYL)PYRROLE
Article Data:	53

Formula:	C₁₀H₁₀N₂
Molecular Weight:	158.203
Synonyms:	2-(1H-Pyrrol-1-yl)phenylamine;o-(1-Pyrrolyl)aniline;N-(2-Aminophenyl)pyrrole;NSC 130753;Pyrrole,1-(o-aminophenyl)- (7CI);1-(2-Aminophenyl)pyrrole;1-(o-Aminophenyl)pyrrole;2-(1-Pyrrolyl)aniline;2-(1H-Pyrrol-1-yl)benzenamine;2-Pyrrol-1-ylaniline;
EINECS:	227-884-2
Density:	1.09 g/cm³
Melting Point:	96-98 °C(lit.)
Boiling Point:	301.9 °C at 760 mmHg
Flash Point:	136.4 °C
Solubility:	Insoluble in water.
Appearance:	light beige to brown crystal, powder and needles
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	30.95000
LogP:	2.64070

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Specification

The Benzenamine,2-(1H-pyrrol-1-yl)-, with the CAS registry number 6025-60-1, is also known as 1-(2-Aminophenyl)pyrrole. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyrroles. Its EINECS number is 227-884-2. This chemical's molecular formula is C₁₀H₁₀N₂ and molecular weight is 158.2. What's more, its systematic name is 2-(1H-pyrrol-1-yl)aniline. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from light.

Physical properties of Benzenamine,2-(1H-pyrrol-1-yl)- are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.69; (6)ACD/BCF (pH 7.4): 13.69; (7)ACD/KOC (pH 5.5): 226.43; (8)ACD/KOC (pH 7.4): 226.51; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 8.17 Å²; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 49.4 cm³; (15)Molar Volume: 143.9 cm³; (16)Polarizability: 19.58×10^-24cm³; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 136.4 °C; (20)Enthalpy of Vaporization: 54.2 kJ/mol; (21)Boiling Point: 301.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00103 mmHg at 25°C.

Preparation of Benzenamine,2-(1H-pyrrol-1-yl)-: this chemical can be prepared by 1-(2-nitrophenyl)-1H-pyrrole at the ambient temperature. This reaction will need reagents BiCl₃, NaBH₄ and solvent ethanol with the reaction time of 2 hours. The yield is about 70%.

Benzenamine,2-(1H-pyrrol-1-yl)- can be prepared by 1-(2-nitrophenyl)-1H-pyrrole at the ambient temperature

Uses of Benzenamine,2-(1H-pyrrol-1-yl)-: it can be used to produce 2-chloro-N-(2-pyrrol-1-yl-phenyl)-propionamide. It will need solvent dioxane with the reaction time of 12 hours. The yield is about 73%.

Benzenamine,2-(1H-pyrrol-1-yl)- can be used to produce 2-chloro-N-(2-pyrrol-1-yl-phenyl)-propionamide

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)N)N2C=CC=C2
(2)InChI: InChI=1S/C10H10N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,11H2
(3)InChIKey: GDMZHPUPLWQIBD-UHFFFAOYSA-N