2,9-Dichloro-1,10-phenanthroline

HCID 355196CAS 29176-55-4

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1ccc2ccc3ccc(Cl)nc3c2n1
InChIKey: DNKGIDURJINUOA-UHFFFAOYSA-N
Molecular formula: C12H6Cl2N2
Average molar mass: 249.09 g/mol
Monoisotopic mass: 247.99080355

Names & identifiers

Preferred name: 2,9-Dichloro-1,10-phenanthroline
IUPAC: 2,9-dichloro-1,10-phenanthroline
English name: 2,9-Dichloro-1,10-phenanthroline
Molecular formula: C12H6Cl2N2
Molecular weight: 249.1

Names & synonyms

2,9-DICHLORO-1,10-PHENANTHROLINE29176-55-4DTXSID00326671RefChem:1060413DTXCID902777841,10-Phenanthroline, 2,9-dichloro-MFCD02084186NSC6084302,9-Dichloro-[1,10]phenanthroline1,10-Phenanthroline,2,9-dichloroAKOS001607977CS-W004583

Show more names

DFFCVUF 7732NSC 6084309-Dichloro-12,9-Dichloro2,9-Dichloro-o-phenanthroline2,9-Dichloro-1,10-phenthroline1,10-Phenanthroline,2,9-dichloro-

NSC-608430DS-5635SY055397D4186EU-0068432F16079YSZC230A876514

Database identifiers

CAS: 29176-55-4
PubChem CID: 355196
DTXSID: DTXSID00326671
Nikkaji: J486.884F

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 249 · 249-250℃
Boiling point: 417.3 · 417.3±40.0 °C(Predicted)
Density: 1.482 · 1.482±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
pka: 2.56 · 2.56±0.30(Predicted)
color: White to Light yellow
InChI: InChI=1S/C12H6Cl2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H
InChIKey: DNKGIDURJINUOA-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C3C=2N=C(Cl)C=C3)C=CC=1Cl
HS Code: 2933.99 · 2933.99.8290

Safety & regulation

Safety data

hs_code: 2933.99.8290

Chemistry & industry

Applications

Uses2,9-Dichloro-1,10-phenanthroline is used in organic building blocks and general reagents.

Upstream & downstream products

Upstream raw materials

1,10-Phenanthroline-2,9-dione, 1,10-dihydro-1,10-Phenanthroline 1-oxide 9-Chloro-1-methyl-1,10-phenanthrolin-2(1H)-one N,N'-Trimethylene-1,10-*phenanthrolinium dibromide 5H-[1,4]Diazepino[1,2,3,4-lmn][1,10]phenanthroline-3,9-dione, 6,7-dihydro-1,10-Phenanthrolin-2(1H)-one, 1-methyl-2-Chloro-1,10-phenanthroline 1,10-Phenanthroline hydrate o-Phenanthroline

Downstream products

2,9-dichloro-1,10-phenanthroline-5,6-quinone 2,9-bis(4-methoxyphenyl)-1,10-phenanthroline 1,10-Phenanthroline-2,9-diamine

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

2 records

New reaction record

HRID 241396As productuspto-grants-2014_02

HRID 716556As productuspto-grants-2015_11

Linked notes

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