CAS 22065-85-6 1-Benzylpiperidine-4-carbaldehyde (HCID 89584)

Names & identifiers

Preferred name: 1-Benzylpiperidine-4-carbaldehyde
IUPAC: 1-benzylpiperidine-4-carbaldehyde
English name: N-Benzylpiperidine-4-carboxaldehyde
Molecular formula: C13H17NO
Molecular weight: 203.28

Names & synonyms

1-Benzylpiperidine-4-carbaldehyde1-Benzyl-4-formylpiperidineS5RKG3HX5A4-piperidinecarboxaldehyde, 1-(phenylmethyl)-N-BENZYL-4-FORMYLPIPERIDINEDTXSID201765541-(PHENYLMETHYL)-4-PIPERIDINECARBOXALDEHYDEEINECS 244-757-7RefChem:75015DTXCID8099045244-757-722065-85-6

Show more names

Benzylpiperidine-4-carboxaldehydeN-Benzyl-4-Piperidinecarboxaldehyde95%N-Benzylpiperidine-4-carboxaldehyde 95%1-(Phenylmethyl)-4-piperidinecarbaldehyde1-Benzyl-4-piperidinecarboxaldehyde,1-Benzyl-4-formylpiperidine1-Benzyl-4-formylpiperidine, [(4-Formylpiperidin-1-yl)methyl]benzeneZERO/005913

1-Benzyl-4-piperidinecarboxaldehydeN-Benzylpiperidine-4-carboxaldehyde1-Benzylpiperidine-4-carboxaldehyde1-benzyl-4-piperidine-carboxaldehydeMFCD022589021-benzyl-piperidine-4-carbaldehydeDonepezil Aldehyde Impurity4-FORMYL-1-BENZYLPIPERIDINE

Database identifiers

CAS: 22065-85-6
PubChem CID: 89584
DTXSID: DTXSID20176554
UNII: S5RKG3HX5A
EC Number: 244-757-7
Nikkaji: J285.424D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 191

Physicochemical properties

Melting point: 145 · 145-149 °C
Boiling point: 315.4 °C/760 · 315.4 °C/760 mmHg
Density: 1.026 g/mL · 1.026 g/mL at 25 °C
refractive index: 20 · n20/D 1.537
Flash point: 230 °F · >230 °F
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Acetone (Slightly), Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Sli
form: Liquid
pka: 8.04 · 8.04±0.10(Predicted)
color: Clear colorless to pale yellow
Sensitive: Air Sensitive
InChI: InChI=1S/C13H17NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
InChIKey: SGIBOXBBPQRZDM-UHFFFAOYSA-N
SMILES: N1(CC2=CC=CC=C2)CCC(C=O)CC1
CAS DataBase Reference: 22065 · 22065-85-6(CAS DataBase Reference)
FDA UNII: 5 RKG3HX5A · S5RKG3HX5A
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310+P330-P305+P351+P338+P310
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 25 · 25-41
Safety Statements: 26 · 26-28-36/37/39
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: IRRITANT
PackingGroup: Ⅲ
HS Code: 29333990 · 29333990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (10.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 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. 3 (89.4%)；Skin Irrit. 2 (10.6%)；Eye Dam. 1 (89.4%)；Eye Irrit. 2 (10.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 29333990
risk_code: 25-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 26-28-36/37/39
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H301-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P280-P301+P310+P330-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

UsesReactant for:Stereospecific allylic alkylationReactions of Grignard reagents with carbonyl compoundsFluorodenitrations and nitrodehalogenations for labeled PET ligands and fluoropharmaceuticalsSelective α1 receptor antagonistsReactant for synthesis of:DonepezilMCH-R1 antagonists