CAS 5896-17-3 2-(Benzyloxy)benzaldehyde (HCID 344784)

Names & identifiers

Preferred name: 2-(Benzyloxy)benzaldehyde
IUPAC: 2-phenylmethoxybenzaldehyde
English name: 2-Benzyloxybenzaldehyde
Molecular formula: C14H12O2
Molecular weight: 212.24

Names & synonyms

2-(Benzyloxy)benzaldehyde5896-17-3RefChem:459783611-766-62-Benzyloxybenzaldehyde2-phenylmethoxybenzaldehydeo-(Benzyloxy)benzaldehydeBenzaldehyde, 2-(phenylmethoxy)-MFCD00016583Benzaldehyde, o-(benzyloxy)-O-Benzylsalicylaldehyde2-(phenylmethoxy)benzaldehyde

Show more names

CCY1aAKOS AU36-M26ASISCHEM N430682-BenzyloxybenzaldehOTAVA-BB BB70188019482-BENZYLOXY BEZALDEHYDE2- Benxyloxy benzaldehyde2-Benzyloxybenzaldehyde,98%

2-(Benzyloxy)benzaldehyde; NSC 401884; O-Benzylsalicylaldehydeo-benzyloxybenzaldehydebenzyloxybenzaldehydeSalicylaldehyde benzyl etherCambridge id 7183859Integrase inhibitor, R2{4}CHEMBL61500SCHEMBL433401

Database identifiers

CAS: 5896-17-3
PubChem CID: 344784
DTXSID: DTXSID30322707
ChEMBL: CHEMBL61500
EC Number: 611-766-6
Nikkaji: J32.017J

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 209

Physicochemical properties

Melting point: 46 · 46-47°C
Boiling point: 326 °C · 326 °C (lit.)
Density: 1.339 g/mL · 1.339 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.6(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform, Methanol (Slightly)
form: Liquid
Specific Gravity: 1.339 · 1.339
color: Colorless to yellow
Water Solubility: Insoluble in water.
Sensitive: Air Sensitive
BRN: 780307 · 780307
InChI: InChI=1S/C14H12O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKey: PBEJTRAJWCNHRS-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=CC=C1OCC1=CC=CC=C1
CAS DataBase Reference: 5896 · 5896-17-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
PPE: Eyeshields, Gloves
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29124990 · 29124990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29124990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses2-Benzyloxybenzaldehyde is used as an organic chemical synthesis intermediate.

Uses2-Benzyloxybenzaldehyde may be used in the synthesis of:2-benzyloxy-2′-hydroxy-3′,4′,6′-trimethoxychalcone N2-(2-benzyloxy)benzylidenyl isonicotinic acid hydrazide2-hydroxy-2′-methoxybenzophenone2′-hydroxy-5,6,7-trimethoxyflavone

General Description2-Benzyloxybenzaldehyde is a benzaldehyde derivative. It undergoes enantioselective cyanoformylation with ethyl cyanoformate in the presence of a vanadium(V) chiral salen complex and imidazole to form the corresponding cyanohydrin carbonate.