2,5-Dihydroxyterephthalonitrile

HCID 643391

Basic information

CAS
4655-70-3
Standard SMILES
N#Cc1cc(O)c(C#N)cc1O
InChIKey
XCVWVIHAUUKVAL-UHFFFAOYSA-N
Molecular formula
C8H4N2O2
Average molar mass
160.13 g/mol
Monoisotopic mass
160.02727738

Names & identifiers

Preferred name
2,5-Dihydroxyterephthalonitrile
IUPAC
2,5-dihydroxybenzene-1,4-dicarbonitrile
English name
1,4-Benzenedicarbonitrile, 2,5-dihydroxy-
Molecular formula
C8H4N2O2
Molecular weight
160.13

Names & synonyms

2,5-dihydroxyterephthalonitrile4655-70-31,4-benzenedicarbonitrile, 2,5-dihydroxy-2,5-dicyanohydroquinoneMFCD247145492,5-dihydroxybenzene-1,4-dicarbonitrileSCHEMBL7765659DTXSID80349166XCVWVIHAUUKVAL-UHFFFAOYSA-NH40058InChI=1/C8H4N2O2/c9-3-5-1-7(11)6(4-10)2-8(5)12/h1-2,11-122,5-Dicyanhydrochinon

Database identifiers

CAS
4655-70-3
PubChem CID
643391
DTXSID
DTXSID80349166

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
88 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12

Chemistry & industry

Suppliers8 total

郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
贵州易妥化学科技有限公司18628235590 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]

Related reactions

4 records

Compound notes

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