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CAS No.: | 672-30-0 |
---|---|
Name: | 1-BROMO-3-(PENTAFLUOROSULFANYL)BENZENE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H4BrF5S |
Molecular Weight: | 283.06 |
Synonyms: | Sulfur,(m-bromophenyl)pentafluoro- (7CI,8CI);3-Bromo(pentafluorosulfanyl)benzene;3-Bromophenylsulfur pentafluoride; |
Density: | 1.831 g/mL at 25 °C |
Boiling Point: | 82 °C(Press: 12 Torr) |
Flash Point: | 88 °C |
Hazard Symbols: | T,Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 25.30000 |
LogP: | 5.10650 |
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The Sulfur,(3-bromophenyl)pentafluoro-, (OC-6-21)-, with the CAS registry number 672-30-0, is also known as 3-Bromophenylsulphur pentafluoride. It belongs to the product categories of Halides; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het; Organic Building Blocks; Pentafluorosulfanyls; Sulfur Compounds. This chemical's molecular formula is C6H4BrF5S and molecular weight is 283.057. Its systematic name is called 1-bromo-3-(pentafluoro-lambda~6~-sulfanyl)benzene.
Physical properties of Sulfur,(3-bromophenyl)pentafluoro-, (OC-6-21)-: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 813.02; (6)ACD/BCF (pH 7.4): 813.02; (7)ACD/KOC (pH 5.5): 4213.59; (8)ACD/KOC (pH 7.4): 4213.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. Besides, this chemical that at low level can cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FS(F)(F)(F)(F)c1cc(Br)ccc1
(2)InChI: InChI=1/C6H4BrF5S/c7-5-2-1-3-6(4-5)13(8,9,10,11)12/h1-4H
(3)InChIKey: QRPMKEUTGAXKSD-UHFFFAOYAU