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CAS No.: | 13194-70-2 |
---|---|
Name: | 4-BROMO-2-METHYLANILINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C7H8BrN.ClH |
Molecular Weight: | 222.512 |
Synonyms: | 4-Bromo-2-methylaniline hydrochloride;Benzenamine,4-bromo-2-methyl-, hydrochloride (9CI);o-Toluidine, 4-bromo-, hydrochloride(7CI,8CI); |
Melting Point: | 188-192 °C |
Boiling Point: | 242.6 °C at 760 mmHg |
Flash Point: | 100.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-33 |
Safety: | 24/25 |
PSA: | 26.02000 |
LogP: | 3.72290 |
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The Benzenamine,4-bromo-2-methyl-, hydrochloride (1:1), with CAS registry number 13194-70-2, belongs to the following product categories: (1)Anilines, Amides & Amines; (2)Bromine Compounds. It has the systematic name of 4-bromo-2-methylaniline hydrochloride. This chemical is a kind of off-white to beige fluffy shiny crystalline powder. And the chemical formula of this chemical is C7H8BrN.ClH.
Physical properties of Benzenamine,4-bromo-2-methyl-, hydrochloride (1:1): (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 46.78; (6)ACD/BCF (pH 7.4): 47.6; (7)ACD/KOC (pH 5.5): 543.13; (8)ACD/KOC (pH 7.4): 552.57; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 100.5 °C; (14)Enthalpy of Vaporization: 47.96 kJ/mol; (15)Boiling Point: 242.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0337 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-bromo-2-methyl-, hydrochloride (1:1) irritates to eyes, respiratory system and skin. And it is danger of cumulative effects. When use this chemical, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(N)cc1)C.Cl
(2)InChI: InChI=1/C7H8BrN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H
(3)InChIKey: UDRDAMWXUPMNJW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H8BrN.ClH/c1-5-4-6(8)2-3-7(5)9;/h2-4H,9H2,1H3;1H
(5)Std. InChIKey: UDRDAMWXUPMNJW-UHFFFAOYSA-N