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Benzenamine,4-(methylsulfonyl)-, hydrochloride (1:1)

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Name

Benzenamine,4-(methylsulfonyl)-, hydrochloride (1:1)

EINECS 226-803-8
CAS No. 177662-76-9 Density 1.282g/cm3
PSA 68.54000 LogP 3.13630
Solubility N/A Melting Point 243-245 °C
Formula C7H10ClNO2S Boiling Point 384.3 °C at 760 mmHg
Molecular Weight 207.68 Flash Point 186.2 °C
Transport Information UN 1759 Appearance White or greyish-purple needles and crystals
Safety 24/25 Risk Codes 20/21/22-34
Molecular Structure Molecular Structure of 177662-76-9 (4-(METHANESULFONYL)ANILINE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

Benzenamine,4-(methylsulfonyl)-, hydrochloride (9CI);4-(Methylsulfonyl)anilinehydrochloride;4-Methylsulfonylphenylamine hydrochloride;4-(Methylsulfonyl)aniline hydrochloride (1:1);Benzenamine, 4-(methylsulfonyl)-, hydrochloride (1:1);

Article Data 1

Benzenamine,4-(methylsulfonyl)-, hydrochloride (1:1) Specification

The Benzenamine,4-(methylsulfonyl)-, hydrochloride (1:1), with the CAS registry number 177662-76-9, has the systematic name of 4-(methylsulfonyl)aniline hydrochloride. It is a kind of white or greyish-purple needles and crystals, and the molecular formula of the chemical is C7H10ClNO2S.

The characteristics of Benzenamine,4-(methylsulfonyl)-, hydrochloride (1:1) are as followings: (1)ACD/LogP: -0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): -0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.5; (8)ACD/KOC (pH 7.4): 20.5; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Flash Point: 186.2 °C; (14)Enthalpy of Vaporization: 63.3 kJ/mol; (15)Boiling Point: 384.3 °C at 760 mmHg; (16)Vapour Pressure: 4.12E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It harmful by inhalation, in contact with skin and if swallowed, and it may also cause burns. Therefore, you had better avoid contacting with skin and eyes.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc(N)cc1)C.Cl
(2)InChI: InChI=1/C7H9NO2S.ClH/c1-11(9,10)7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
(3)InChIKey: NMEAGYKSZYLEAS-UHFFFAOYAI

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