CAS 19434-34-5 o-Phenoxybenzaldehyde (HCID 88060)

Names & identifiers

Preferred name: o-Phenoxybenzaldehyde
IUPAC: 2-phenoxybenzaldehyde
English name: 2-Phenoxybenzaldehyde
Molecular formula: C13H10O2
Molecular weight: 198.22

Names & synonyms

2-phenoxybenzaldehydeo-PhenoxybenzaldehydeBenzaldehyde, 2-phenoxy-K5R9AE3HNKEINECS 243-061-0DTXSID10173057RefChem:167287DTXCID0095548243-061-019434-34-52-phenoxybenzenecarbaldehyde2-Formyldiphenyl ether

Show more names

2-Phenoxybenzaldehyde 97%

MFCD00800666phenoxybenzaldehydeMLS000326714SMR0001792672-phenoxy-benzaldehydeOpera_ID_1384UNII-K5R9AE3HNK2-Phenoxybenzaldehyde97%

Database identifiers

CAS: 19434-34-5
PubChem CID: 88060
DTXSID: DTXSID10173057
ChEMBL: CHEMBL1402072
UNII: K5R9AE3HNK
EC Number: 243-061-0
Nikkaji: J242.814H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 197

Physicochemical properties

Boiling point: 114 °C · 114°C 0,1mm
Density: 1.154 · 1.154±0.06 g/cm3(Predicted)
refractive index: 1.6 to · 1.6000 to 1.6040
storage temp.: 2 · 2-8°C, stored under nitrogen
form: clear liquid
color: Colorless to Yellow
Water Solubility: Very slightly soluble in water.
Sensitive: Air Sensitive
InChI: 1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N
SMILES: O=Cc1ccccc1Oc2ccccc2
CAS DataBase Reference: 19434 · 19434-34-5(CAS DataBase Reference)
FDA UNII: 5 R9AE3HNK · K5R9AE3HNK
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
target organs: Respiratory system
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2912490090 · 2912490090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (86.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (86.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

wgk: WGK 3
hs_code: 2912490090
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses2-Phenoxybenzaldehyde is used as a reagent in the synthesis of chiral 1,3,4-oxadiazol-2-ones as potent and highly selective FAAH inhibitors. Also used as a reagent in the synthesis of [4-(phenoxy)pyridin-3-yl]methylamines; a new class of selective noradrenaline reuptake inhibitors (NRI).