Basic information
- CAS
13279-58-8- Standard SMILES
COc1cc(S(=O)(=O)Cl)c(OC)cc1NC(C)=O- InChIKey
QMJIZLZFBGRSAS-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO5S
- Average molar mass
- 293.72 g/mol
- Monoisotopic mass
- 293.0124714
Names & identifiers
- Preferred name
- Benzenesulfonyl chloride, 4-(acetylamino)-2,5-dimethoxy-
- IUPAC
- 4-acetamido-2,5-dimethoxybenzenesulfonyl chloride
- English name
- 4-acetamido-2,5-dimethoxybenzenesulphonyl chloride
- Molecular formula
- C10H12ClNO5S
- Molecular weight
- 293.72
Names & synonyms
13279-58-8Benzenesulfonyl chloride, 4-(acetylamino)-2,5-dimethoxy-EINECS 236-279-24-Acetamido-2,5-dimethoxybenzenesulphonyl chlorideDTXSID1065394RefChem:565050DTXCID8034112236-279-24-acetamido-2,5-dimethoxybenzenesulfonyl chloride4-Acetamido-2,5-dimethoxybenzene-1-sulfonyl chloride4-Chlorosulfonyl-2,5-dimethoxyacetanilide4-acetamido-2,5-dimethoxy-benzenesulfonyl chloride
Show more names
4-Acetylamino-2,5-dimethoxybenzenesulfonyl chloride
4-Acetylamino-2,5-dimethoxy-benzenesulfonyl chlorideSCHEMBL8643764QMJIZLZFBGRSAS-UHFFFAOYSA-NCS-0147282NS00024240
Database identifiers
- CAS
13279-58-8- PubChem CID
- 83296
- DTXSID
DTXSID1065394- EC Number
- 236-279-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 394
Physicochemical properties
- Melting point
- 160 · 160-163 °C
- Boiling point
- 470.3 · 470.3±45.0 °C(Predicted)
- Density
- 1.417 · 1.417±0.06 g/cm3(Predicted)
- pka
- 12.66 · 12.66±0.70(Predicted)
- EPA Substance Registry System
- 4 · Benzenesulfonyl chloride, 4-(acetylamino)-2,5-dimethoxy- (13279-58-8)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl chloride, 4-(acetylamino)-2,5-dimethoxy-: INACTIVE
Applications
UsesSynthetic reagent. Previously employed in literature as a component for the synthesis of both azo-dyes and pest control agents.
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [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
0 records
No reaction records under the current filter.
Compound notes
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