CAS 18495-14-2 2-Hydroxy-4-methylbenzonitrile (HCID 14388656)

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Basic information

CAS: 18495-14-2
Standard SMILES: Cc1ccc(C#N)c(O)c1
InChIKey: WAFLXCCXXVMUKI-UHFFFAOYSA-N
Molecular formula: C8H7NO
Average molar mass: 133.15 g/mol
Monoisotopic mass: 133.05276384

Names & identifiers

Preferred name: 2-Hydroxy-4-methylbenzonitrile
IUPAC: 2-hydroxy-4-methylbenzonitrile
English name: 2-Hydroxy-4-methyl-benzonitrile
Molecular formula: C8H7NO
Molecular weight: 133.15

Names & synonyms

2-Hydroxy-4-methylbenzonitrile18495-14-2DTXSID90559714RefChem:87422DTXCID20510494849-035-02-HYDROXY-4-METHYL-BENZONITRILEMFCD022619412-Hydroxy-4-methyk-benzonitrileBENZONITRILE, 2-HYDROXY-4-METHYL-SCHEMBL2614496CL8169

Show more names

SCHEMBL17796273Benzonitrile,2-hydroxy-4-methyl-AKOS011586562AB11820CS-W023066FH42036AC-22655DS-12556

Database identifiers

CAS: 18495-14-2
PubChem CID: 14388656
DTXSID: DTXSID90559714
EC Number: 849-035-0
Nikkaji: J3.444.318A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 44 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 87 °C · 87 °C
Boiling point: 286 · 286.0±28.0 °C(Predicted)
Density: 1.17 · 1.17±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 7.28 · 7.28±0.10(Predicted)
Appearance: Light brown to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.