CAS 1210867-89-2 4-Methylpyridine-2-sulfonyl fluoride (HCID 58349840)

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Basic information

CAS: 1210867-89-2
Standard SMILES: Cc1ccnc(S(=O)(=O)F)c1
InChIKey: NOVNCBVVIZXQBI-UHFFFAOYSA-N
Molecular formula: C6H6FNO2S
Average molar mass: 175.18 g/mol
Monoisotopic mass: 175.01032777

Names & identifiers

Preferred name: 4-Methylpyridine-2-sulfonyl fluoride
IUPAC: 4-methylpyridine-2-sulfonyl fluoride

Names & synonyms

4-methylpyridine-2-sulfonyl fluoride1210867-89-2RefChem:525700989-654-4MFCD28679766starbld0041527SCHEMBL1824530NOVNCBVVIZXQBI-UHFFFAOYSA-NKYB86789GS0208AKOS037652640AT45037

Show more names

ES-2347SY508942EN300-1583729Z3033607625

Database identifiers

CAS: 1210867-89-2
PubChem CID: 58349840
EC Number: 989-654-4

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 221

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.