Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzenesulfonylchloride, 2-nitro-4-(trifluoromethyl)-

Related Products

Hot Products

Name

Benzenesulfonylchloride, 2-nitro-4-(trifluoromethyl)-

EINECS -0
CAS No. 837-95-6 Density 1.689 g/cm3
PSA 88.34000 LogP 4.14510
Solubility N/A Melting Point 42-44 °C(lit.)
Formula C7H3ClF3NO4S Boiling Point 325.1 °C at 760 mmHg
Molecular Weight 289.619 Flash Point 150.4 °C
Transport Information N/A Appearance UN 3261 8/PG 2
Safety 26-27-28-36/37/39-45 Risk Codes 34-36/37
Molecular Structure Molecular Structure of 837-95-6 (2-NITRO-4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

2-Nitro-4-(trifluoromethyl)benzene-1-sulfonylchloride;2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride;p-Toluenesulfonylchloride, a,a,a-trifluoro-2-nitro- (6CI,7CI,8CI);2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride;2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride;Benzenesulfonyl chloride, 2-nitro-4-(trifluoromethyl)-;

Article Data 2

Benzenesulfonylchloride, 2-nitro-4-(trifluoromethyl)- Specification

The Benzenesulfonylchloride, 2-nitro-4-(trifluoromethyl)-, with the CAS registry number 837-95-6, has the systematic name of 2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride. It belongs to the following product categories: Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. And the molecular formula of the chemical is C7H3ClF3NO4S.

The characteristics of Benzenesulfonylchloride, 2-nitro-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.07; (5)ACD/BCF (pH 5.5): 127.49; (6)ACD/BCF (pH 7.4): 127.49; (7)ACD/KOC (pH 5.5): 1118.67; (8)ACD/KOC (pH 7.4): 1118.67; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 88.34 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 51.42 cm3; (15)Molar Volume: 171.4 cm3; (16)Polarizability: 20.38×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.689 g/cm3; (19)Flash Point: 150.4 °C; (20)Enthalpy of Vaporization: 54.46 kJ/mol; (21)Boiling Point: 325.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000447 mmHg at 25°C. 

Uses of Benzenesulfonylchloride, 2-nitro-4-(trifluoromethyl)-: It can react with 2-bromo-aniline to produce N-(2-bromo-phenyl)-2-nitro-4-trifluoromethyl-benzenesulfonamide. This reaction will need reagent pyridine, and menstruum tetrahydrofuran. The reaction time is 2 hours with heating, and the yield is about 48%.   

You should be cautious while dealing with this chemical. It irritates to eyes and respiratory system, and it may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Take off immediately all contaminated clothing; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc(c([N+]([O-])=O)c1)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H
(3)InChIKey: KXEMVGQZZLRLBE-UHFFFAOYAH

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 837-95-6