4-(bromomethyl)Benzenesulfonamide supplier

Name
4-BROMOMETHYL-BENZENESULFONAMIDE
EINECS
CAS No. 40724-47-8
Article Data20
CAS DataBase
Density 1.691 g/cm³
Solubility
Melting Point 191-192℃
Formula C₇H₈BrNO₂S
Boiling Point 386.4 °C at 760 mmHg
Molecular Weight 250.116
Flash Point 187.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Toluenesulfonamide,a-bromo- (6CI);4-(Bromomethyl)benzenesulfonamide;p-Bromomethylbenzenesulfonamide;
PSA 68.54000
LogP 3.01000

4-(bromomethyl)Benzenesulfonamide Specification

The Benzenesulfonamide,4-(bromomethyl)- is an organic compound with the formula C₇H₈BrNO₂S. The IUPAC name of this chemical is 4-(bromomethyl)benzenesulfonamide. With the CAS registry number 40724-47-8, it is also named as 4-sulfonamide benzyl bromide.

Physical properties about Benzenesulfonamide,4-(bromomethyl)- are: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): 1.03; (3)ACD/LogD (pH 7.4): 1.03; (4)ACD/BCF (pH 5.5): 3.55; (5)ACD/BCF (pH 7.4): 3.54; (6)ACD/KOC (pH 5.5): 86.2; (7)ACD/KOC (pH 7.4): 85.98; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 68.54 Å²; (12)Index of Refraction: 1.614; (13)Molar Refractivity: 51.54 cm³; (14)Molar Volume: 147.8 cm³; (15)Polarizability: 20.43×10^-24cm³; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.691 g/cm³; (18)Flash Point: 187.5 °C; (19)Enthalpy of Vaporization: 63.53 kJ/mol; (20)Boiling Point: 386.4 °C at 760 mmHg; (21)Vapour Pressure: 3.56E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(cc1)S(N)(=O)=O
(2)InChI: InChI=1/C7H8BrNO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2,(H2,9,10,11)
(3)InChIKey: QNJHTLTUBNXLFS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H8BrNO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2,(H2,9,10,11)
(5)Std. InChIKey: QNJHTLTUBNXLFS-UHFFFAOYSA-N

Product Name

4-BROMOMETHYL-BENZENESULFONAMIDE

4-(bromomethyl)Benzenesulfonamide Specification

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