Basic information
- CAS
14988-21-7- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1C- InChIKey
PTQIUVQLPQCNMB-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO3S
- Average molar mass
- 247.7 g/mol
- Monoisotopic mass
- 247.006992
Names & identifiers
- Preferred name
- 4-Acetamido-3-methylbenzene-1-sulfonyl chloride
- IUPAC
- 4-acetamido-3-methylbenzenesulfonyl chloride
- English name
- 4-Acetylamino-3-methyl-benzenesulfonyl chloride
- Molecular formula
- C9H10ClNO3S
- Molecular weight
- 247.7
Names & synonyms
14988-21-74-Acetamido-3-methylbenzene-1-sulfonyl chloride4-ACETAMIDO-3-METHYLBENZENESULFONYL CHLORIDE4-ACETYLAMINO-3-METHYL-BENZENESULFONYL CHLORIDE4-(Acetylamino)-3-methyl-BenzenesulfonylchlorideBenzenesulfonylchloride, 4-(acetylamino)-3-methyl-MFCD06797216SCHEMBL26266644-(ACETYLAMINO)-3-METHYLBENZENESULFONYL CHLORIDEDTXSID00469274GS3151AKOS000162685
Show more names
Benzenesulfonyl chloride, 4-(acetylaMino)-3-Methyl-
DB-0638384-acetylamino-3-methyl-benzenesulfonyl chloride, AldrichCPR
Database identifiers
- CAS
14988-21-7- PubChem CID
- 11601238
- DTXSID
DTXSID00469274
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 159 °C · 159 °C
- Boiling point
- 416.3 · 416.3±38.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- pka
- 13.76 · 13.76±0.70(Predicted)
- form
- solid
- InChI
- 1S/C9H10ClNO3S/c1-6-5-8(15(10,13)14)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
- InChIKey
- PTQIUVQLPQCNMB-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1ccc(cc1C)S(Cl)(=O)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers4 total
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Aladdin Scientific[email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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