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Phenol,4-amino-2,3-dimethyl-

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Name Phenol,4-amino-2,3-dimethyl- EINECS 221-446-4
CAS No. 3096-69-3 Density 1.118 g/cm3
Solubility Melting Point
Formula C8H11NO Boiling Point 296.3 °C at 760 mmHg
Molecular Weight 137.18 Flash Point 133 °C
Transport Information Appearance
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 3096-69-3 (Phenol,4-amino-2,3-dimethyl-) Hazard Symbols
Synonyms

2,3-Xylenol,4-amino- (7CI);2,3-Dimethyl-4-aminophenol;2,3-Dimethyl-4-hydroxyaniline;4-Amino-2,3-dimethylphenol;4-Hydroxy-2,3-dimethylaniline;NSC 143549;4-amino-2,3-dimethylphenol;phenol, 4-amino-2,3-dimethyl-;4-Amino-2,3-xylenol;4-Amino-2,3-dimethylphenol;Phenol, 4-amino-2,3-dimethyl-;

 

Specification

The Phenol,4-amino-2,3-dimethyl-, with the CAS registry number 3096-69-3 and EINECS registry number 221-446-4, has the systematic name of 4-amino-2,3-dimethylphenol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H11NO.

The characteristics of Phenol,4-amino-2,3-dimethyl- are as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 33.48; (8)ACD/KOC (pH 7.4): 52.24; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 42.02 cm3; (15)Molar Volume: 122.6 cm3; (16)Polarizability: 16.65×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.118 g/cm3; (19)Flash Point: 133 °C; (20)Enthalpy of Vaporization: 55.75 kJ/mol; (21)Boiling Point: 296.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00082 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(c(c1C)C)N
(2)InChI: InChI=1/C8H11NO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,9H2,1-2H3
(3)InChIKey: UBKPLLYABUUFCE-UHFFFAOYAR

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