2,9-Dimethyl-5-nitro-1,10-phenanthroline

HCID 379764
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Basic information

CAS
118752-27-5
Standard SMILES
Cc1ccc2cc([N+](=O)[O-])c3ccc(C)nc3c2n1
InChIKey
ZZKNDQYPXPYVNS-UHFFFAOYSA-N
Molecular formula
C14H11N3O2
Average molar mass
253.26 g/mol
Monoisotopic mass
253.0851266

Names & identifiers

Preferred name
2,9-Dimethyl-5-nitro-1,10-phenanthroline
IUPAC
2,9-dimethyl-5-nitro-1,10-phenanthroline
English name
1,10-Phenanthroline, 2,9-dimethyl-5-nitro-
Molecular formula
C14H11N3O2
Molecular weight
253.26

Names & synonyms

2,9-dimethyl-5-nitro-1,10-phenanthroline118752-27-5MFCD30471399NSC6647361,10-Phenanthroline, 2,9-dimethyl-5-nitro-5-Nitro-2,9-Dimethyl-1,10-Phenanthroline5-Nitro-2,10-PhenanthrolineSCHEMBL8548121DTXSID90327536ZZKNDQYPXPYVNS-UHFFFAOYSA-NNSC-664736SY294797
Show more names
CS-0203373E10330F6351855-(Hydroxy(oxido)amino)-2,9-dimethyl[1,10]phenanthroline

Database identifiers

CAS
118752-27-5
PubChem CID
379764
DTXSID
DTXSID90327536
Nikkaji
J1.297.102H

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
19

Physicochemical properties

Melting point
201 · 201-203 °C
Boiling point
438.4 · 438.4±40.0 °C(Predicted)
Density
1.343 · 1.343±0.06 g/cm3(Predicted)
pka
4.48 · 4.48±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers9 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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