CAS No.3096-69-3,4-AMINO-2,3-XYLENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3096-69-3
Name:	4-AMINO-2,3-XYLENOL
Article Data:	22

Formula:	C₈H₁₁NO
Molecular Weight:	137.181
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-;
EINECS:	221-446-4
Density:	1.118 g/cm³
Melting Point:	174oC
Boiling Point:	296.3 °C at 760 mmHg
Flash Point:	133 °C
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	46.25000
LogP:	2.17240

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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