Basic information
- CAS
80745-07-9- Standard SMILES
COc1cc(C)c(S(=O)(=O)Cl)c(C)c1C- InChIKey
DWLYVEYCCPEHLX-UHFFFAOYSA-N- Molecular formula
- C10H13ClO3S
- Average molar mass
- 248.73 g/mol
- Monoisotopic mass
- 248.0273931
Names & identifiers
- Preferred name
- 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
- IUPAC
- 4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride
- English name
- 4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONYL CHLORIDE
- Molecular formula
- C10H13ClO3S
- Molecular weight
- 248.73
Names & synonyms
80745-07-94-Methoxy-2,3,6-trimethylbenzenesulfonyl chlorideDTXSID00340236RefChem:99569DTXCID20291317626-430-4DWLYVEYCCPEHLX-UHFFFAOYSA-N4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chlorideMFCD000388464-methoxy-2,3,6-trimethyl-benzenesulfonyl chloride4-methoxy-2,3,6-trimethylphenylsulfonyl chlorideSCHEMBL248149
Show more names
MTR-CLMTR CHLORIDE4-METHOXY-2,3,6-TRIMETHYLBENZENE-4-Methoxy-2,3,6-trimethylphenylaulfomyl chloride4-METHOXY-2,3,6-TRIMETHYLBENZENESULPHONYL CHLORIDEBenzenesulfonyl chloride, 4-methoxy-2,3,6-trimethyl-4-METHOXY-2,3,6-TRIMETHYLBENZENE-SULFONYL CHLORIDE 97+%Benzenesulfonyl chloride, 4-methoxy-2,3,6-trimethyl- (9CI)
SBB063084AKOS006222485DS-6170DB-056454CS-01870244-methoxy-2,3,6-trimethylphenylsulfonylchloridechloro(4-methoxy-2,3,6-trimethylphenyl)sulfone(4-methoxy-2,3,6-trimethylphenyl)sulfonylchloride
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 57 · 57-61 °C
- Boiling point
- 372.5 · 372.5±42.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Sensitive
- Moisture Sensitive
- BRN
- 4867665 · 4867665
- Major Application
- peptide synthesis
- InChI
- 1S/C10H13ClO3S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3
- InChIKey
- DWLYVEYCCPEHLX-UHFFFAOYSA-N
- SMILES
- COc1cc(C)c(c(C)c1C)S(Cl)(=O)=O
- CAS DataBase Reference
- 80745 · 80745-07-9(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
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 44 reports by companies from 2 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
- F
- 3-10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29093090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers45 total
江苏生康迈翔科技有限公司18217475093 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
45 records
Compound notes
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