Basic information
- CAS
15084-51-2- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1- InChIKey
YEZADZMMVHWFIY-UHFFFAOYSA-N- Molecular formula
- C10H13ClO2S
- Average molar mass
- 232.73 g/mol
- Monoisotopic mass
- 232.03247834
Names & identifiers
- Preferred name
- 4-t-Butylbenzenesulfonyl chloride
- IUPAC
- 4-tert-butylbenzenesulfonyl chloride
- English name
- 4-tert-Butylbenzenesulfonyl chloride
- Molecular formula
- C10H13ClO2S
- Molecular weight
- 232.73
Names & synonyms
4-t-Butylbenzenesulfonyl chlorideDTXSID70164628NSC 186263RefChem:100493DTXCID4087119YEZADZMMVHWFIY-UHFFFAOYSA-N4-tert-Butylbenzenesulfonyl chloride15084-51-24-(tert-Butyl)benzene-1-sulfonyl chloride4-tert-butylbenzene-1-sulfonyl chloride4-tert-ButylbenzenesulfonylchlorideBenzenesulfonyl chloride, 4-(1,1-dimethylethyl)-
Show more names
TIMTEC-BB SBB006569p-t-Butylbenzenesulfonyl Chloride4-Tetr-Butylbenzenesulfonyl chlorideP-TERT-BUTYL-BENZENESULFONYL CHLORIDE4-TERTBUTYL BENZENE SULFONYLE CHLORIDE4-TERT-BUTYLBENZENESULFONYL CHLORIDE 98%4-tert-Butylbenzenesulfonyl Chloride >
MFCD00007449p-tert-butylbenzenesulfonyl chloride4-tert-butyl phenylsulfonyl chloride4-(tert-butyl)benzenesulfonyl chloride4-tert-butylbenzenesulphonyl chloride4-TERT-BUTYL-BENZENESULFONYL CHLORIDE[4-(tert-butyl)phenyl]chlorosulfonetert-Butylbenzene-4-sulfonyl Chloride;
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 78 · 78-81 °C(lit.)
- Boiling point
- 165 °C · 165 °C / 18mmHg
- Density
- 1.206 · 1.2060 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Crystalline Powder
- color
- White to light yellow
- Sensitive
- Moisture Sensitive
- BRN
- 1104346 · 1104346
- InChI
- InChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3
- InChIKey
- YEZADZMMVHWFIY-UHFFFAOYSA-N
- SMILES
- C1(S(Cl)(=O)=O)=CC=C(C(C)(C)C)C=C1
- CAS DataBase Reference
- 15084 · 15084-51-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 4 · 4-T-butylbenzenesulfonyl chloride(15084-51-2)
- UNSPSC Code
- 12352100 · 12352100
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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29049090
- risk_code
- 34-29
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
Uses4-tert-Butylbenzenesulfonyl Chloride can be used to treat cancer.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
Related reactions
329 records
Compound notes
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