4,4'-(1,4-Phenylene)dipyridine

HCID 5250442CAS 113682-56-7

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Basic information

Standard SMILES: c1cc(-c2ccc(-c3ccncc3)cc2)ccn1
InChIKey: MAWKLXRVKVOYLR-UHFFFAOYSA-N
Molecular formula: C16H12N2
Average molar mass: 232.286 g/mol
Monoisotopic mass: 232.10004838

Names & identifiers

Preferred name: 4,4'-(1,4-Phenylene)dipyridine
IUPAC: 4,4'-(1,4-Phenylene)dipyridine
English name: 1,4-Di(4-pyridyl)benzene
Molecular formula: C16H12N2
Molecular weight: 232.28

Names & synonyms

1,4-Di(pyridin-4-yl)benzene1,4-bis(pyrid-4-yl)benzeneDK7477DK73041,4-bis(4-pyridyl)benzen1,4-Di(4-pyridyl)benzene4-bis(pyrid-4-yl)benzene1,4-Bis(4-pyridyl)-benzene1,4-Di(4-pyridyl)benzene>1,4-Bis(4-pyridinyl)benzene

Database identifiers

CAS: 113682-56-7
PubChem CID: 5250442
DTXSID: DTXSID90413261
Nikkaji: J484.662A

Properties

Physicochemical properties

Melting point: 167 · 167-170 °C
Boiling point: 417.4 · 417.4±25.0 °C(Predicted)
Density: 1.125 · 1.125±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder to crystal
pka: 5.25 · 5.25±0.10(Predicted)
color: White to Light yellow
InChI: InChI=1S/C16H12N2/c1-2-14(16-7-11-18-12-8-16)4-3-13(1)15-5-9-17-10-6-15/h1-12H
InChIKey: MAWKLXRVKVOYLR-UHFFFAOYSA-N
SMILES: C1(C2C=CN=CC=2)=CC=C(C2C=CN=CC=2)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H412
Precautionary statements: 261 · P261-P273-P305+P351+P338
HS Code: 29333990 · 29333990

Safety & regulation

Safety data

hs_code: 29333990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335-H412
Precautionary statements: P261-P273-P305+P351+P338

Chemistry & industry

Applications

Uses1,4-Di(4-pyridyl)benzene can be used as ligands in the synthesis of MOF materials: ExBox·4PF6; Zn2(TCPP)(DPB); DICRO-4-Ni-I; CID-21.

Upstream & downstream products

Upstream raw materials

p-phenylenebis-(magnesium bromide), Fandachem Pyridine, 2-[4-(4-pyridinyl)phenyl]-Trimethyl(4-pyridyl)tin 4-(Pyridin-4-yl)aniline 4-(4-Iodophenyl)pyridine 4-Pyridineboronic acid pinacol ester 1,4-Phenylenebisboronic acid 4-Bromopyridine hydrochloride 4-Bromopyridine 1,4-Diiodobenzene Pyridine Pyridine-4-boronic acid

Suppliers50 total

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

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

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