Basic information
- CAS
1524-40-9- Standard SMILES
NS(=O)(=O)c1cccc(F)c1- InChIKey
CRINBBOGNYCAOV-UHFFFAOYSA-N- Molecular formula
- C6H6FNO2S
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.01032765
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Fluorobenzenesulfonamide
- IUPAC
- 3-fluorobenzenesulfonamide
- English name
- 3-Fluorobenzenesulfonamide
- Molecular formula
- C6H6FNO2S
- Molecular weight
- 175.18
Names & synonyms
3-Fluorobenzenesulfonamide1524-40-93-FbsaDTXSID10165013RefChem:93946DTXCID7087504623-899-73-fluorobenzene-1-sulfonamideBenzenesulfonamide, 3-fluoro-MFCD000422843-fluorobenzenesulphonamide2weo
Show more names
BUTTPARK 33\11-503-FLUOROBENZENESULFO3-Fluorobenzenesulphonamide97%3-Fluorobenzenesulfonamide, 97%,Benzenesulfonamide, 3-fluoro- (9CI)3-FLUOROBENZENESULFONAMIDE ISO 9001：2015 REACH
FBW3-Fluorobenzene-sulfonamideSCHEMBL1137782SCHEMBL1299098SCHEMBL2170695SCHEMBL2895869SCHEMBL297644043-Fluorobenzenesulfonamide, 97%
Database identifiers
- CAS
1524-40-9- PubChem CID
- 150924
- DTXSID
DTXSID10165013- EC Number
- 623-899-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 124.5 · 124.5-128.5 °C(lit.)
- Boiling point
- 320.5 · 320.5±44.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.87 · 9.87±0.60(Predicted)
- form
- Powder or Crystalline Powder
- color
- White to brown
- Water Solubility
- Slightly soluble in water.
- InChI
- 1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
- InChIKey
- CRINBBOGNYCAOV-UHFFFAOYSA-N
- SMILES
- NS(=O)(=O)c1cccc(F)c1
- CAS DataBase Reference
- 1524 · 1524-40-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2935909099
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi
- hazard_note
- Irritant
- safety_code
- 26-36-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301+H311+H331-H315-H319-H335
- Hazard Classifications
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
General Description3-Fluorobenzenesulfonamide can be synthesized by reacting 3-fluorobenzenesulfonyl chloride (in tetrahydrofuran) with 50% NH4OH.
Suppliers79 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
11 records
Compound notes
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