Basic information
- Standard SMILES
CC(=O)Nc1cccc2c(OC(C)=O)c(S(=O)(=O)Cl)ccc12- InChIKey
GCTZQGUIBACLJL-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO5S
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.01247116
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-
- IUPAC
- (5-acetamido-2-chlorosulfonylnaphthalen-1-yl) acetate
- English name
- 5-(acetylamino)-1-(acetyloxy)naphthalene-2-sulphonyl chloride
- Molecular formula
- C14H12ClNO5S
- Molecular weight
- 341.77
Names & synonyms
58596-09-12-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-EINECS 261-355-75-Acetamido-1-acetoxynaphthalene-2-sulfonyl chlorideDTXSID30692735-(Acetylamino)-1-(acetyloxy)-2-naphthalenesulfonyl chlorideRefChem:477053DTXCID20424365-(Acetylamino)-1-(acetyloxy)naphthalene-2-sulphonyl chlorideU979DR8STGSCHEMBL10823254DB-316909
Show more names
5-Acetylamino-1-acetoxy-2-naphthalenesulfonyl chloride
NS000339741-acetoxy-5-acetaminonaphthalene-2-sulfonyl chloride5-Acetylamino-1-acetoxy-2-chlorosulfonylnaphthalene1-acetoxy-5-acetamino-naphthalene-2-sulfonyl chloride5-Acetamido-2-(chlorosulfonyl)naphthalen-1-yl acetate5-acetamino-1-acetoxynaphthalene-2-sulfonic acid chloride
Database identifiers
- CAS
58596-09-1- PubChem CID
- 94125
- DTXSID
DTXSID3069273- UNII
- U979DR8STG
- EC Number
- 261-355-7
- Nikkaji
- J29.344J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)- (58596-09-1)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-: INACTIVE
Related reactions
11 records
Linked notes
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