Basic information
- CAS
5804-73-9- Standard SMILES
COc1ccc(NC(C)=O)cc1S(=O)(=O)Cl- InChIKey
VWKRNDWDKNOMAD-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO4S
- Average molar mass
- 263.7 g/mol
- Monoisotopic mass
- 263.0019067
Names & identifiers
- Preferred name
- 5-Acetylamino-2-methoxybenzenesulfonyl chloride
- IUPAC
- 5-acetamido-2-methoxybenzenesulfonyl chloride
- English name
- 5-Acetylamino-2-methoxybenzenesulfonyl chloride
- Molecular formula
- C9H10ClNO4S
- Molecular weight
- 263.7
Names & synonyms
5804-73-95-(acetylamino)-2-methoxybenzenesulfonyl chlorideBenzenesulfonyl chloride, 5-(acetylamino)-2-methoxy-5-ACETYLAMINO-2-METHOXYBENZENESULFONYL CHLORIDE5-Acetamido-2-methoxybenzenesulphonyl chloride0F3N8S2E4PNSC-160918DTXSID9064007RefChem:531907DTXCID50422995-acetamido-2-methoxybenzene-1-sulfonyl chloride5-acetamido-2-methoxybenzenesulfonyl chloride
Show more names
Metanilyl chloride, N-acetyl-6-methoxy- (8CI)5-acetamido-2-methoxy-benzenesulfonyl chloride3-Acetamido-6-methoxy benzenesulfonyl chloride5-(acetylamino)-2-methoxybenzenesulfonyl chloride(SALTDATA: FREE)
MFCD06654939Metanilyl chloride, N-acetyl-6-methoxy-Benzenesulfonyl chloride, 5-acetamido-2-methoxy-EINECS 227-358-2N-Acetyl-6-methoxymetanilyl chlorideNSC 160918UNII-0F3N8S2E4PSCHEMBL11481936
Database identifiers
- CAS
5804-73-9
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 149 · 149-151 °C
- Boiling point
- 477.2 · 477.2±40.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- pka
- 13.49 · 13.49±0.70(Predicted)
- FDA UNII
- 0 F3N8S2E4P · 0F3N8S2E4P
- EPA Substance Registry System
- 5 · Benzenesulfonyl chloride, 5-(acetylamino)-2-methoxy- (5804-73-9)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
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
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl chloride, 5-(acetylamino)-2-methoxy-: INACTIVE
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州东帆化学有限公司86-0571-85151182
上海遐瑞医药科技有限公司+86 21 61551611
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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