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Benzenamine,4-bromo-2-methyl-, hydrochloride (1:1)

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Name

Benzenamine,4-bromo-2-methyl-, hydrochloride (1:1)

EINECS N/A
CAS No. 13194-70-2 Density N/A
PSA 26.02000 LogP 3.72290
Solubility N/A Melting Point 188-192 °C
Formula C7H8BrN.ClH Boiling Point 242.6 °C at 760 mmHg
Molecular Weight 222.512 Flash Point 100.5 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes 36/37/38-33
Molecular Structure Molecular Structure of 13194-70-2 (4-BROMO-2-METHYLANILINE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

4-Bromo-2-methylaniline hydrochloride;Benzenamine,4-bromo-2-methyl-, hydrochloride (9CI);o-Toluidine, 4-bromo-, hydrochloride(7CI,8CI);

 

Benzenamine,4-bromo-2-methyl-, hydrochloride (1:1) Specification

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

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