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

Name
4-AMINO-2,3-XYLENOL
EINECS 221-446-4
CAS No. 3096-69-3
Article Data22
CAS DataBase
Density 1.118 g/cm³
Solubility
Melting Point 174oC
Formula C₈H₁₁NO
Boiling Point 296.3 °C at 760 mmHg
Molecular Weight 137.181
Flash Point 133 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
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-;
PSA 46.25000
LogP 2.17240

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

Product Name

4-AMINO-2,3-XYLENOL

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

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