5,5'-Dichloro-3,3'-dinitro(1,1'-biphenyl)-2,2'-diol

HCID 5284586
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Basic information

CAS
10331-57-4
Standard SMILES
O=[N+]([O-])c1cc(Cl)cc(-c2cc(Cl)cc([N+](=O)[O-])c2O)c1O
InChIKey
XULACPAEUUWKFX-UHFFFAOYSA-N
Molecular formula
C12H6Cl2N2O6
Average molar mass
345.09 g/mol
Monoisotopic mass
343.96029127

Overview

Niclofolan is a polychlorobiphenyl.

Names & identifiers

Preferred name
5,5'-Dichloro-3,3'-dinitro(1,1'-biphenyl)-2,2'-diol
IUPAC
4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol
English name
NICLOFOLAN
Molecular formula
C12H6Cl2N2O6
Molecular weight
345.09

Names & synonyms

Niclofolan10331-57-4NiclofolanumBAY 9015BAYER-901582KFT81F6W5,5'-Dichloro-3,3'-dinitro(1,1'-biphenyl)-2,2'-diol(1,1'-BIPHENYL)-2,2'-DIOL, 5,5'-DICHLORO-3,3'-DINITRO-5,5'-Dichloro-3,3'-dinitro[1,1'-biphenyl]-2,2'-diolNiclofanRefChem:165704233-720-0
Show more names
ME 3625NicloflanNiclofoianNicloflan TabletsNICLOFOLAN USP/EP/BP
Menichlopholan5,5'-Dichloro-3,3'-dinitro-[1,1'-biphenyl]-2,2'-diolBayer 90154-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)-6-nitrophenol4,4'-Dichloro-6,6'-dinitro-o,o-biphenolME-3625;BAY9015MFCD00867407Bilevon M

Database identifiers

CAS
10331-57-4
PubChem CID
5284586
DTXSID
DTXSID5023249
ChEMBL
CHEMBL2107116
ChEBI
CHEBI:135460
UNII
82KFT81F6W
EC Number
233-720-0
Nikkaji
J10.474D

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
132 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
22

Physicochemical properties

Boiling point
251.5 °C · 251.5°C (rough estimate)
Density
1.8594 · 1.8594 (rough estimate)
refractive index
1.735 · 1.7350 (estimate)
pka
4.34 · 4.34±0.40(Predicted)
form
Solid
color
Light yellow to yellow

Safety & regulation

Safety data

Toxicity
bird - wild,LD50,oral,13mg/kg (13mg/kg),Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
Signal word
Danger
Symbol(GHS)
GHS05,GHS07,GHS09
Hazard statements
H302-H315-H317-H318-H410
Precautionary statements
P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501

Chemistry & industry

Applications

UsesNiclofolan can be used as deworming drug and anti-creep drug. It is used for prevention and treatment of hepatic chioniasis of cattle and sheep.

Upstream & downstream products

Suppliers73 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Additional notes

DefinitionChEBI: Niclofolan is a polychlorobiphenyl.

Related reactions

1 records
New reaction record

Compound notes

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