(Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonate

HCID 286836CAS 152333-94-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1cccc(S(=O)(=O)OCC2CO2)c1
InChIKey
AIHIHVZYAAMDPM-UHFFFAOYSA-N
Molecular formula
C9H9NO6S
Average molar mass
259.24 g/mol

Names & identifiers

Preferred name
(Oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonate
IUPAC
oxiran-2-ylmethyl 3-nitrobenzenesulfonate

Names & synonyms

152333-94-3(oxiran-2-yl)methyl 3-nitrobenzene-1-sulfonateRefChem:406780870-592-0oxiran-2-ylmethyl 3-nitrobenzenesulfonate(R)-(-)-Glycidyl nosylate(S)-(+)-Glycidyl nosylate(oxiran-2-yl)methyl3-nitrobenzene-1-sulfonate3-Nitro-benzenesulfonic Acid Oxiranylmethyl EsterMFCD041087473-Nitrobenzenesulfonic Acid (R)-Glycidyl EsterSCHEMBL336603
Show more names
glycidyl-3-nitrobenzenesulfonateCHEMBL5977560SCHEMBL30301224BDBM579880US11485731, Example 1AfNSC146004AKOS025243513NSC-146004

Database identifiers

CAS
152333-94-3
PubChem CID
286836
ChEMBL
CHEMBL5977560
EC Number
870-592-0
Nikkaji
J345.765F

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
110 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
17

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

75 records
New reaction record

Linked notes

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