CAS No.782-45-6,4-AMINOBENZANILIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	782-45-6
Name:	4-AMINOBENZANILIDE
Article Data:	33

Formula:	C₁₃H₁₂N₂O
Molecular Weight:	212.251
Synonyms:	Benzanilide,4-amino- (6CI,7CI,8CI);4-Amino-N-phenylbenzamide;4-Aminobenzanilide;N-Phenyl-4-aminobenzamide;
EINECS:	212-313-1
Density:	1.244 g/cm³
Melting Point:	127-131 °C(lit.)
Boiling Point:	321.2 °C at 760 mmHg
Flash Point:	148.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/38-43
Safety:	26-36
PSA:	55.12000
LogP:	3.17530

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Specification

This chemical is called Benzamide,4-amino-N-phenyl-, and it can also be named as 4-Aminobenzanilide. With the molecular formula of C₁₃H₁₂N₂O, its molecular weight is 212.25. The CAS registry number of this chemical is 782-45-6, and its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Amides; Carbonyl Compounds; Organic Building Blocks. Additionally, this chemical should be avoided direct sunshine and stored in the ventilated and dry place under normal temperature.

Other characteristics of the Benzamide,4-amino-N-phenyl- can be summarised as followings: (1)ACD/LogP:1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.28; (6)ACD/BCF (pH 7.4): 15.31; (7)ACD/KOC (pH 5.5): 244.81; (8)ACD/KOC (pH 7.4): 245.41; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 65.06 cm³; (15)Molar Volume: 170.5 cm³; (16)Polarizability: 25.79×10^-24cm³; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.244 g/cm³; (19)Flash Point: 148.1 °C; (20)Enthalpy of Vaporization: 56.3 kJ/mol; (21)Boiling Point: 321.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000302 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the followings: Do not empty into drains, dispose of this container and this material in a safe way. Never add water to this product and take precautionary measures against static discharges. You should wear suitable protective clothing when you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). After using it, you should take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ccccc1)c2ccc(N)cc2
2.InChI: InChI=1/C13H12N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)
3.InChIKey: QHWDUJPWCGEBTH-UHFFFAOYAE