CAS No.100418-33-5,2-(4-Methyl-2-nitrophenylamino)ethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100418-33-5
Name:	2-(4-Methyl-2-nitrophenylamino)ethanol
Article Data:	2

Formula:	C₉H₁₂N₂O₃
Molecular Weight:	196.206
Synonyms:	4-(2-Hydroxyethylamino)-3-nitrotoluene;4-[(2-Hydroxyethyl)amino]-3-nitro-1-methylbenzene;
EINECS:	408-090-7
Density:	1.299 g/cm³
Melting Point:	60-61 °C
Boiling Point:	385.373 °C at 760 mmHg
Flash Point:	186.867 °C
Solubility:	350mg/L at 20℃
Appearance:	Orange powder
Hazard Symbols:	Xn
Risk Codes:	22-43-52/53
Safety:	36/37-61
PSA:	78.08000
LogP:	1.90360

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Specification

The Ethanol,2-[(4-methyl-2-nitrophenyl)amino]- is an organic compound with the formula C₉H₁₂N₂O₃. The systematic name of this chemical is 2-[(4-methyl-2-nitrophenyl)amino]ethanol. With CAS registry number 100418-33-5, it is also named as ethanol, 2-[(4-methyl-2-nitrophenyl)amino]-. In addition, it is orange powder which is used as intermediate in organic synthesis.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 246; (8)ACD/KOC (pH 7.4): 246; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 78.08 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 53.401 cm³; (15)Molar Volume: 151.019 cm³; (16)Polarizability: 21.17×10^-24cm³; (17)Surface Tension: 57.47 dyne/cm; (18)Enthalpy of Vaporization: 66.891 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

Uses of Ethanol,2-[(4-methyl-2-nitrophenyl)amino]-: It can react with methanesulfonyl chloride to get methanesulfonic acid 2-(4-methyl-2-nitro-phenylamino)-ethyl ester. This reaction will need reagent pyridine at ambient temperature. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. And it may cause sensitization by skin contact. If you want to contact this product, you must wear suitable protective clothing and gloves. Avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
1. SMILES: [O-][N+](=O)c1cc(ccc1NCCO)C
2. InChI: InChI=1/C9H12N2O3/c1-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3
3. InChIKey: SCZQUWZLEIYDBD-UHFFFAOYAJ