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6-Amino-m-cresol

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Name

6-Amino-m-cresol

EINECS 220-618-6
CAS No. 2835-98-5 Density 1.157 g/cm3
PSA 46.25000 LogP 1.86400
Solubility soluble in water Melting Point 160-162 °C(lit.)
Formula C7H9NO Boiling Point 241.4 °C at 760 mmHg
Molecular Weight 123.155 Flash Point 99.8 °C
Transport Information N/A Appearance Beige to brown crystal powder
Safety 26-36-37/39 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 2835-98-5 (6-Amino-m-cresol) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

m-Cresol,6-amino- (7CI,8CI);2-Amino-5-methylphenol;2-Hydroxy-4-methylaniline;2-Hydroxy-p-toluidine;5-Methyl-2-aminophenol;6-Amino-3-cresol;6-Amino-3-methylphenol;NSC 322874;

Article Data 25

6-Amino-m-cresol Specification

The CAS register number of Phenol,2-amino-5-methyl- is 2835-98-5. It also can be called as 6-Amino-m-cresol and the IUPACc name about this chemical is 2-amino-5-methylphenol. The molecular formula about this chemical is C7H9NO and the molecular weight is 123.15. It belongs to the following product categories, such as Aromatic Phenols; Phenoles and thiophenoles; Amines and so on. Comply with the regulations to use and storage this chemical will not break down. This chemical can be used in organic synthesis.

Physical properties about Phenol,2-amino-5-methyl- are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.89; (4)ACD/BCF (pH 5.5): 1.9; (5)ACD/BCF (pH 7.4): 2.81; (6)ACD/KOC (pH 5.5): 48.98; (7)ACD/KOC (pH 7.4): 72.54; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 37.19 cm3; (14)Molar Volume: 106.4 cm3; (15)Polarizability: 14.74x10-24cm3; (16)Surface Tension: 51.9 dyne/cm; (17)Enthalpy of Vaporization: 49.77 kJ/mol; (18)Boiling Point: 241.4 °C at 760 mmHg; (19)Vapour Pressure: 0.0232 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-Nitro-3-hydroxy-toluol. This reaction will need reagent In, aq. HCl and solvent tetrahydrofuran. The reaction time is 1 hour(s) with reaction temperature of 20 ℃. The yield is about 73%.

Uses of Phenol,2-amino-5-methyl-: it can be used to produce 4-amino-5-hydroxy-toluene-2-sulfonic acid at temperature of 70 - 80 ℃. This reaction will need reagent conc. H2SO4 with reaction time of 1 hours. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin, it is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1N)C
(2)InChI: InChI=1/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
(3)InChIKey: HCPJEHJGFKWRFM-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
(5)Std. InChIKey: HCPJEHJGFKWRFM-UHFFFAOYSA-N

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