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CAS No.: | 55289-36-6 |
---|---|
Name: | 3-Bromo-2-methylaniline |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C7H8BrN |
Molecular Weight: | 186.051 |
Synonyms: | 2-Amino-6-bromotoluene;2-Bromo-6-aminotoluene;3-Bromo-o-toluidine;3-bromo-2-methyl-aniline; |
EINECS: | 259-568-5 |
Density: | 1.51 g/cm3 |
Boiling Point: | 257 °C at 760 mmHg |
Flash Point: | 109.3 °C |
Appearance: | colorless to yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 26.02000 |
LogP: | 2.92090 |
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The 3-Bromo-2-methylaniline, with the CAS registry number 55289-36-6, is also known as 3-Bromo-o-toluidine. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Miscellaneous; Anilines, Amides & Amines; Bromine Compounds; Amines; C7; Nitrogen Compounds. Its EINECS registry number is 259-568-5. This chemical's molecular formula is C7H8BrN and molecular weight is 186.04912. Its IUPAC name is called 3-bromo-2-methylaniline.
Physical properties of 3-Bromo-2-methylaniline: (1)ACD/LogP: 2.56; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 2.56; (4)ACD/BCF (pH 5.5): 51.57; (5)ACD/BCF (pH 7.4): 51.95; (6)ACD/KOC (pH 5.5): 584.02; (7)ACD/KOC (pH 7.4): 588.36; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 43 cm3; (13)Molar Volume: 124.1 cm3; (14)Surface Tension: 44.7 dyne/cm; (15)Density: 1.498 g/cm3; (16)Flash Point: 109.3 °C; (17)Enthalpy of Vaporization: 49.46 kJ/mol; (18)Boiling Point: 257 °C at 760 mmHg; (19)Vapour Pressure: 0.0149 mmHg at 25°C.
Preparation of 3-Bromo-2-methylaniline: this chemical can be prepared by 2-bromo-6-nitro-toluene. This reaction will need reagent SnBr2.
Uses of 3-Bromo-2-methylaniline: it can be used to produce acetic acid-(3-bromo-2-methyl-anilide) with acetic acid anhydride. This reaction will need reagent sulfuric acid.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(N)c1C
(2)InChI: InChI=1/C7H8BrN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3
(3)InChIKey: IILVSKMKMOJHMA-UHFFFAOYAT