CAS 64419-24-5 2,4-Dihydroxybenzonitrile (HCID 3017520)

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Basic information

CAS: 64419-24-5
Standard SMILES: N#Cc1ccc(O)cc1O
InChIKey: JFZAJWBGISKERI-UHFFFAOYSA-N
Molecular formula: C7H5NO2
Average molar mass: 135.12 g/mol
Monoisotopic mass: 135.0320284

Names & identifiers

Preferred name: 2,4-Dihydroxybenzonitrile
IUPAC: 2,4-dihydroxybenzonitrile
English name: 2,4-Dihydroxybenzonitrile
Molecular formula: C7H5NO2
Molecular weight: 135.12

Names & synonyms

2,4-Dihydroxybenzonitrile64419-24-5EINECS 264-886-2DTXSID00982993RefChem:82458DTXCID701410243264-886-24-cyanoresorcinolMFCD022619312,4dihydroxybenzonitrile24-dihydroxybenzonitrile2,4-di-hydroxybenzonitrile

Show more names

2,4-DIHYDROXYBENZONIBenzonitrile, 2,4-dihydroxy-

2,4-dihydroxy benzonitrile2,4-dihydroxy-benzonitrileSCHEMBL1267080AKOS015890757AC-5287CS-W018705GS-3785SY067400

Database identifiers

CAS: 64419-24-5
PubChem CID: 3017520
DTXSID: DTXSID00982993
EC Number: 264-886-2
Nikkaji: J307.226F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 179 °C · 179 °C
Boiling point: 339.4 · 339.4±12.0 °C(Predicted)
Density: 1.42 · 1.42±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: powder
pka: 6.95 · 6.95±0.10(Predicted)
color: Yellow
InChI: InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H
InChIKey: JFZAJWBGISKERI-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(O)C=C1O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.