4-(2',6'-Dimethylphenoxy)phthalonitrile

HCID 952073

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Basic information

CAS: 221302-75-6
Standard SMILES: Cc1cccc(C)c1Oc1ccc(C#N)c(C#N)c1
InChIKey: LJUVUOSWARAIBZ-UHFFFAOYSA-N
Molecular formula: C16H12N2O
Average molar mass: 248.28 g/mol
Monoisotopic mass: 248.094963

Names & identifiers

Preferred name: 4-(2',6'-Dimethylphenoxy)phthalonitrile
IUPAC: 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
English name: 4-(2',6'-Dimethylphenoxy)phthalonitrile
Molecular formula: C16H12N2O
Molecular weight: 248.28

Names & synonyms

4-(2',6'-Dimethylphenoxy)phthalonitrileRefChem:510577678-110-94-(2,6-dimethylphenoxy)phthalonitrile221302-75-64-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrileMFCD00059064SCHEMBL522176DTXSID30359210AKOS0036530184-(2,6-Dimethyl-phenoxy)-phthalonitrileAS-63204

Show more names

4-(2',6'-Dimethylphenoxy)phthalonitrile>1,2-DICYANO-4-(2',6'-DIMETHYLPHENOXY)BENZENE1,2-Benzenedicarbonitrile, 4-(2,6-dimethylphenoxy)-4-(2′,6′-Dimethylphenoxy)phthalonitrile, CAS 221302-75-6

SY054163DB-094393CS-0435494D1983ST451075091,2-Dicyano-4-(2',6'-dimethylphenoxy)benzeneF7637892-CYANO-4-(2,6-DIMETHYLPHENOXY)PHENYL CYANIDE

Database identifiers

CAS: 221302-75-6
PubChem CID: 952073
DTXSID: DTXSID30359210
EC Number: 678-110-9
Nikkaji: J208.459G

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 391

Physicochemical properties

Melting point: 110 °C · 110 °C
solubility: soluble in Methanol
form: powder to crystal
color: White to Orange to Green
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
HS Code: 2926.9 · 2926.90.4801

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2926.90.4801
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501