Nitrosoantipyrine

HCID 13443CAS 885-11-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(N=O)c(=O)n(-c2ccccc2)n1C
InChIKey
IEODZSWSXNQPQL-UHFFFAOYSA-N
Molecular formula
C11H11N3O2
Average molar mass
217.22 g/mol
Monoisotopic mass
217.08512659

Overview

structure given in first source

Names & identifiers

Preferred name
Nitrosoantipyrine
IUPAC
1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one
English name
2,3-dimethyl-4-nitroso-1-phenyl-3-pyrazolin-5-one
Molecular formula
C11H11N3O2
Molecular weight
217.22

Names & synonyms

4-Nitrosoantipyrine885-11-04-NitrosoantipyrinNitrosoantipyrine6E87K64L4INSC-75060NSC-1639323H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitroso-2-phenyl-DTXSID80237079RefChem:100155DTXCID30159570212-941-6
Show more names
Antipyrine Impurity 32,3-dimethyl-4-nitroso-1-phenyl-3-pyrazolin-5-one1,5-dimethyl-4-nitroso-2-phenyl-1H-pyrazol-3(2H)-one1,2-Dihydro-1,5-dimethyl-4-nitroso-2-phenyl-3H-pyrazole-3-one
ANTIPYRINE, 4-NITROSO-Nitroso Antipyrine1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one1,2-Dihydro-1,5-dimethyl-4-nitroso-2-phenyl-3H-pyrazol-3-one1,5-Dimethyl-4-nitroso-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneNSC1639323H-Pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-nitroso-2-phenyl-1,5-dimethyl-4-nitroso-2-phenyl-pyrazol-3-one

Database identifiers

CAS
885-11-0
PubChem CID
13443
DTXSID
DTXSID80237079
UNII
6E87K64L4I
EC Number
212-941-6
Nikkaji
J855I

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
53 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Melting point
168 °C · >168°C (dec.)
storage temp.
-20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid
color
Blue Green to Emerald Green
Stability
Light Sensitive

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H315-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesNitrosoantipyrine is a derivative of antipyrine (A697500), an analgesic agent.

Upstream & downstream products

Suppliers23 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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