2-(Trifluoromethyl)benzenesulfonyl chloride - CAS 776-04-5
Catalog: |
BB035994 |
Product Name: |
2-(Trifluoromethyl)benzenesulfonyl chloride |
CAS: |
776-04-5 |
Synonyms: |
2-(trifluoromethyl)benzenesulfonyl chloride |
IUPAC Name: | 2-(trifluoromethyl)benzenesulfonyl chloride |
Description: | 2-(Trifluoromethyl)benzenesulfonyl chloride (CAS# 776-04-5) is a useful research chemical. |
Molecular Weight: | 244.62 |
Molecular Formula: | C7H4ClF3O2S |
Canonical SMILES: | C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-4-2-1-3-5(6)7(9,10)11/h1-4H |
InChI Key: | ZIZGWNOAHUCACM-UHFFFAOYSA-N |
Boiling Point: | 133-135 °C (14 mmHg) |
Melting Point: | 25 °C |
Purity: | 95 % |
Density: | 1.585 g/cm3 |
Appearance: | Clear colorless to yellow liquid |
MDL: | MFCD00051696 |
LogP: | 3.71370 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113121467-A | Benzothiazole derivative and medical application thereof | 20210420 |
CN-112898223-A | 1,3, 4-oxadiazole compound containing sulfonate/carboxylate structure and preparation method and application thereof | 20210201 |
CN-112552309-A | Psoralen benzene sulfonate derivative and application thereof | 20201217 |
CN-112110898-A | Synephrine sulfonylation derivative and intermediate, preparation method and application thereof | 20200925 |
WO-2021147974-A1 | Novel heterocyclic compounds useful as aurora a selective inhibitors | 20200122 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.9572627 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.9572627 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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