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

Name
4-(METHANESULFONYL)ANILINE HYDROCHLORIDE
EINECS 226-803-8
CAS No. 177662-76-9
Article Data1
CAS DataBase
Density 1.282g/cm3
Solubility
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
Hazard Symbols Xi
Synonyms Benzenamine,4-(methylsulfonyl)-, hydrochloride (9CI);4-(Methylsulfonyl)anilinehydrochloride;4-Methylsulfonylphenylamine hydrochloride;4-(Methylsulfonyl)aniline hydrochloride (1:1);Benzenamine, 4-(methylsulfonyl)-, hydrochloride (1:1);
PSA 68.54000
LogP 3.13630

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

Product Name

4-(METHANESULFONYL)ANILINE HYDROCHLORIDE

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

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