Benzenesulfonamide,2-bromo-4-(trifluoromethyl)- supplier

Name
2-BROMO-4-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
EINECS
CAS No. 351003-63-9
Density 1.809 g/cm³
Solubility
Melting Point 160-164 °C(lit.)
Formula C₇H₅BrF₃NO₂S
Boiling Point 343.3 °C at 760 mmHg
Molecular Weight 304.08
Flash Point 161.4 °C
Transport Information
Appearance
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Bromo-4-trifluoromethylbenzenesulfonamide;
PSA 68.54000
LogP 3.89640

Benzenesulfonamide,2-bromo-4-(trifluoromethyl)- Specification

The CAS registry number of Benzenesulfonamide, 2-bromo-4-(trifluoromethyl)- is 351003-63-9. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds. This chemical is also named as 2-Bromo-4-(trifluoromethyl)benzene-sulfonamide 97%. In addition, its molecular formula is C₇H₅BrF₃NO₂S and molecular weight is 304.08. Its systematic name and IUPAC name are the same which is called 2-bromo-4-(trifluoromethyl)benzenesulfonamide. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzenesulfonamide, 2-bromo-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.61; (6)ACD/BCF (pH 7.4): 7.51; (7)ACD/KOC (pH 5.5): 148.73; (8)ACD/KOC (pH 7.4): 146.75; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 51.9 cm³; (14)Molar Volume: 168 cm³; (15)Surface Tension: 41.2 dyne/cm; (16)Density: 1.809 g/cm³; (17)Flash Point: 161.4 °C; (18)Enthalpy of Vaporization: 58.71 kJ/mol; (19)Boiling Point: 343.3 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1Br)C(F)(F)F)N
(2)InChI: InChI=1/C7H5BrF3NO2S/c8-5-3-4(7(9,10)11)1-2-6(5)15(12,13)14/h1-3H,(H2,12,13,14)
(3)InChIKey: IJUIBMWZUXWVLI-UHFFFAOYAP

Product Name

2-BROMO-4-(TRIFLUOROMETHYL)BENZENESULFONAMIDE

Benzenesulfonamide,2-bromo-4-(trifluoromethyl)- Specification

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