2-Methoxybenzonitrile (HCID 81086)

Names & identifiers

Preferred name: 2-Methoxybenzonitrile
IUPAC: 2-methoxybenzonitrile
English name: 2-Methoxybenzonitrile
Molecular formula: C8H7NO
Molecular weight: 133.15

Names & synonyms

2-Methoxybenzonitrile6609-56-9o-MethoxybenzonitrileDTXSID10216291Ortho-methoxybenzonitrileRefChem:474563DTXCID10138782229-559-02-Cyanoanisole2-methoxy-benzonitrileBenzonitrile, 2-methoxy-MFCD00001783

Show more names

AKOS 91422AKOS B005792O-CYANOANISOLEo-Anisonitrile2-Methxybenzonitrile2-Methoxybenzonitril2-methoxybnezonitrile

EINECS 229-559-02-(methyloxy)benzonitrileSTR04854CS-W007580AB00156M1280EN300-16147F0001-1762

Database identifiers

CAS: 6609-56-9
PubChem CID: 81086
DTXSID: DTXSID10216291
EC Number: 229-559-0
Nikkaji: J150.105D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 33 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 147

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 24.5 °C · 24.5°C
Boiling point: 135 °C12 · 135 °C12 mm Hg(lit.)
Density: 1.093 g/mL · 1.093 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5465(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Water Solubility: Slightly soluble in water
form: Liquid
color: Clear colorless to pale yellow
BRN: 2207134 · 2207134
InChI: InChI=1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
InChIKey: FSTPMFASNVISBU-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=CC=C1OC
CAS DataBase Reference: 6609 · 6609-56-9(CAS DataBase Reference)
NIST Chemistry Reference: o-Methoxybenzonitrile(6609-56-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 3276 · 3276
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29269090 · 29269090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (14.6%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-Methoxybenzonitrile was used in the synthesis of 5-(4′-methyl [1,1′-biphenyl]-2-yl)-1H-tetrazole.

General DescriptionSurface-enhanced Raman spectra study of 2-methoxybenzonitrile has been reported.

Preparation methods · 1 item

Preparationo-Anisidine with sodium nitrite to make a diazonium salt solution, add it to the lead cyanide solution, and then add benzene. Put the mixture for 10-15h and carry out steam distillation, separate the benzene layer from the distillate, dry it with calcium chloride, evaporate the benzene, and distill the residue under reduced pressure, collect 120-122.5°C (1.2kPa fraction) to get 2-Methoxybenzonitrile, yield 64.5-67.3%.