3-Amino-4-methoxybenzenesulfonyl fluoride

C₇H₈FNO₃SCAS 498-74-8205.20 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₇H₈FNO₃S
Molar mass: 205.20 g/mol
Exact mass: 205.0209 Da
Melting point: 62 °C
logP: 0.94Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

498-74-8

SMILES

COc1ccc(S(=O)(=O)F)cc1N

InChIKey

SESLQGPHIQXYGF-UHFFFAOYSA-N

InChI

InChI=1S/C7H8FNO3S/c1-12-7-3-2-5(4-6(7)9)13(8,10)11/h2-4H,9H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Benzenesulfonyl fluoride, 3-amino-4-methoxy-
Metanilyl fluoride, 4-methoxy-
5-Fluorosulfonyl-2-methoxyaniline
4-Methoxymetanilyl fluoride
NSC 95416
3-Amino-4-methoxybenzene-1-sulfonyl fluoride
3-Amino-4-methoxyphenylsulphonyl fluoride

Work with 3-Amino-4-methoxybenzenesulfonyl fluoride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Aminoanisole-4-sulfonic acid98-42-062 % similar 3-Amino-N,N-diethyl-4-methoxybenzenesulfonamide97-35-855 % similar 5-Fluoro-2-methoxyaniline1978-39-850 % similar 2,4-Diaminoanisole sulfate39156-41-749 % similar 2,5-Dimethoxyaniline102-56-749 % similar 2,4-Diaminoanisole615-05-449 % similar para-Cresidine120-71-847 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Fluoro-4,6-dimethylpyridinium-2-sulfonate147541-01-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook