N-(2-Fluorophenyl)methanesulfonamide

HCID 669015

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Basic information

CAS: 98611-90-6
Standard SMILES: CS(=O)(=O)Nc1ccccc1F
InChIKey: DJLCKPRURZWUOU-UHFFFAOYSA-N
Molecular formula: C7H8FNO2S
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.02597772

Names & identifiers

Preferred name: N-(2-Fluorophenyl)methanesulfonamide
IUPAC: N-(2-fluorophenyl)methanesulfonamide
English name: N-(2-Fluorophenyl)methanesulfonamide 9&
Molecular formula: C7H8FNO2S
Molecular weight: 189.21

Names & synonyms

N-(2-Fluorophenyl)methanesulfonamide98611-90-6DTXSID50349936RefChem:360726DTXCID20301006623-995-9SCHEMBL2208298SCHEMBL2210432SCHEMBL5015645SCHEMBL6897963SCHEMBL7894506DJLCKPRURZWUOU-UHFFFAOYSA-N

Show more names

Methanesulfonamide, N-(2-fluorophenyl)-N-(2-Fluorophenyl)methanesulfonamide 9&N-(2-Fluorophenyl)methanesulfonamide 98%N-(2-FLUOROPHENYL)METHANESULFONAMIDE, 98 %N-(2-FLUOROPHENYL)METHANESULFONAMIDE 9& ISO 9001：2015 REACH

MFCD01212921STK035732(2-fluorophenyl)(methylsulfonyl)amineAKOS000476878ST042537DB-080554N-(2-Fluorophenyl)methanesulfonamide, 98%N-(2-Fluorophenyl)methanesulfonamide,98 %

Database identifiers

CAS: 98611-90-6
PubChem CID: 669015
DTXSID: DTXSID50349936
EC Number: 623-995-9
Nikkaji: J1.012.987G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 234

Physicochemical properties

Melting point: 75 · 75-77 °C (lit.)
Boiling point: 274.4 · 274.4±42.0 °C(Predicted)
Density: 1.41 · 1.410±0.06 g/cm3(Predicted)
pka: 8.1 · 8.10±0.10(Predicted)
InChI: 1S/C7H8FNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey: DJLCKPRURZWUOU-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc1ccccc1F
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335
Precautionary statements: 261 · P261-P280-P301+P310-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
Storage Class: 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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. 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: UN 2811 6.1/PG 3
risk_code: 22-37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xn
safety_code: 26-39
Storage Class: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
target organs: Respiratory system
Hazard statements: H301-H315-H318-H335
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P310-P305+P351+P338