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Basic information
- CAS
349-89-3- Standard SMILES
O=S(=O)(F)c1ccc(Cl)cc1- InChIKey
PCTLRVPDZBVCMP-UHFFFAOYSA-N- Molecular formula
- C6H4ClFO2S
- Average molar mass
- 194.61 g/mol
- Monoisotopic mass
- 193.9604564
Names & identifiers
- Preferred name
- Benzenesulfonyl fluoride, p-chloro-
- IUPAC
- 4-chlorobenzenesulfonyl fluoride
- English name
- Benzenesulfonyl fluoride, 4-chloro- (9CI)
- Molecular formula
- C6H4ClFO2S
- Molecular weight
- 194.61
Names & synonyms
4-Chlorobenzenesulfonyl fluoride349-89-3p-Chlorobenzenesulfonyl fluoride4-Chlorophenylsulfonyl fluorideBenzenesulfonyl fluoride, p-chloro-NSC 12521BRN 2091507DTXSID80188456RefChem:565064DTXCID101109474-chloro-benzenesulfonyl fluoride4-chlorobenzene-1-sulfonyl fluoride
Show more names
4-Chlorobenzenesulfonyl fluoride 95%
Benzenesulfonyl fluoride, 4-chloro-MFCD01657965SC4JC5PRH5UNII-SC4JC5PRH5SCHEMBL2152262Benzenesulfonyl fluoride, 4-chloro- (9CI)NSC-12521AKOS006279557
Database identifiers
- CAS
349-89-3- PubChem CID
- 94992
- DTXSID
DTXSID80188456- UNII
- SC4JC5PRH5
- EC Number
- 809-009-1
- Nikkaji
- J357.228E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 47 · 47-48 °C
- Boiling point
- 236.3 · 236.3±23.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- solid
- Appearance
- Off-white to light brown Solid
- InChI
- 1S/C6H4ClFO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
- InChIKey
- PCTLRVPDZBVCMP-UHFFFAOYSA-N
- SMILES
- ClC1=CC=C(S(=O)(F)=O)C=C1
- FDA UNII
- 4 JC5PRH5 · SC4JC5PRH5
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- WGK Germany
- 3 · WGK 3
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesSulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.
Suppliers25 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
苏州西博利生物科技有限公司17326194005 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
16 records
Compound notes
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