Basic information
- CAS
349-78-0- Standard SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)F)c1- InChIKey
CWFLJNDQTKMBAM-UHFFFAOYSA-N- Molecular formula
- C6H4FNO4S
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 204.98450694
Names & identifiers
- Preferred name
- Benzenesulfonyl fluoride, 3-nitro-
- IUPAC
- 3-nitrobenzenesulfonyl fluoride
- English name
- 3-Nitrobenzenesulphonyl fluoride 97
- Molecular formula
- C6H4FNO4S
- Molecular weight
- 205.16
Names & synonyms
3-nitrobenzenesulfonyl fluoride349-78-0Benzenesulfonyl fluoride, 3-nitro-m-Nitrobenzenesulfonyl fluorideBenzenesulfonyl fluoride, m-nitro-EINECS 206-492-5NSC 43019m-Nitrobenzenesulphonyl fluorideDTXSID8059845RefChem:565061DTXCID4038924206-492-5
Show more names
3-Nitrobenzensulfonyl fluoride3-Nitrobenzenesulphonyl fluoride 97%
3-Nitrobenzenesulphonyl fluoride3-nitrobenzene-1-sulfonyl fluorideMFCD000248453-nitro-Benzenesulfonyl fluoride3-NITROBENZENESULPHONYL FLUORIDE 97fluoro(3-nitrophenyl)sulfone3-nitrobenzenesulfonylfluorideSCHEMBL8099347
Database identifiers
- CAS
349-78-0- PubChem CID
- 67683
- DTXSID
DTXSID8059845- EC Number
- 206-492-5
- Nikkaji
- J193.812F
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 46 · 46-48 °C
- Boiling point
- 296.4 · 296.4±23.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C6H4FNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H
- InChIKey
- CWFLJNDQTKMBAM-UHFFFAOYSA-N
- SMILES
- C1(S(F)(=O)=O)=CC=CC([N+]([O-])=O)=C1
- EPA Substance Registry System
- 3 · Benzenesulfonyl fluoride, 3-nitro- (349-78-0)
- 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
- Hazard Codes
- T
- TSCA
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 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2904990090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- T
- 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 fluoride, 3-nitro-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers20 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
嘉兴市德亿化工有限公司
Related reactions
1 records
Compound notes
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