CAS 40172-95-0 1-(2-Furoyl)piperazine (HCID 550206)

Names & identifiers

Preferred name: 1-(2-Furoyl)piperazine
IUPAC: furan-2-yl(piperazin-1-yl)methanone
English name: 1-(2-Furoyl)piperazine
Molecular formula: C9H12N2O2
Molecular weight: 180.2

Names & synonyms

1-(2-Furoyl)piperazine40172-95-0n-(2-furoyl)piperazine8AUX72LL1PDTXSID70577351-(Furan-2-ylcarbonyl)piperazine(furan-2-yl)(piperazin-1-yl)methanoneEINECS 254-823-7DTXCID8031524N-(FURAN-2-OYL)PIPERAZINE1-PENTANONMETHANONE, 2-FURANYL-1-PIPERAZINYL-PRAZOSIN HYDROCHLORIDE IMPURITY D [EP IMPURITY]

Show more names

AKOS BB/0087AKOS B003992AKOS BBS-00003689BIO-FARMA BF003584TIMTEC-BB SBB003747RARECHEM AH CK 0108N-Furoyl piperazine2-furoic piperazideTerazosin Impurity102-(2-FUROYL)PIPERAZINE

TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY L [EP IMPURITY]PRAZOSIN HYDROCHLORIDE IMPURITY D (EP IMPURITY)TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY L (EP IMPURITY)RefChem:422146254-823-7furan-2-yl(piperazin-1-yl)methanone1-(furan-2-carbonyl)piperazineMFCD00038831

Database identifiers

CAS: 40172-95-0
PubChem CID: 550206
DTXSID: DTXSID7057735
ChEMBL: CHEMBL3560648
UNII: 8AUX72LL1P
EC Number: 254-823-7
Nikkaji: J332.377C

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 67 · 67-70 °C(lit.)
Boiling point: 137 · 137-140°C 0,1mm
Density: 1.1819 · 1.1819 (rough estimate)
refractive index: 1.5373 · 1.5373 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Chloroform, Methanol (Slightly)
pka: 8.37 · 8.37±0.10(Predicted)
color: White to Pale Yellow
Sensitive: Hygroscopic
BRN: 880196 · 880196
Stability: Very Hygroscopic
InChI: 1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKey: SADPINFEWFPMEA-UHFFFAOYSA-N
SMILES: O=C(N1CCNCC1)c2ccco2
CAS DataBase Reference: 40172 · 40172-95-0(CAS DataBase Reference)
FDA UNII: 8 AUX72LL1P · 8AUX72LL1P
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
WGK Germany: 3 · 3
F: 10 · 10-34
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 91 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26142

Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

Safety data

F: 10-34
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29339900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses2-Furanyl-1-piperazinylmethanone (Terazosin EP Impurity L) was utilized in the fragment-based design of symmetrical bis-benzimidazole as inhibitors of R67 dihydrofolate reductase.

Uses1-(2-Furoyl)piperazine may be used to synthesize: 2-[4-(2-furoyl) piperazin-1-yl]-4-amino-6-benzyloxy-7-methoxyquinazoline hydrochloride monohydrate2-[4-(2-furoyl)piperazin-1-yl]-4-amino-7-benzyloxy-6-methoxyquinazoline hydrochloride monohydrate4-amino-2-[4-(2-furoyl)piperazin-1-yl]-quinazoline hydrochloride6,7-dimethoxy-2-[4-(2-furoyl)-piperazin-1-yl]quinazoline-4-one hydrate1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-furoyl)-piperazine hydrogen oxalate1-(3,4-dichlorobenzyl)-4-(2-furoyl)-piperazine hydrogen oxalate4-(9-fluorenyl)-1-(2-furoyl)piperazine2-[4-(2-furoyl)piperazin-1-yl]-benzimidazole hydrochloride hydrate

Uses2-Furanyl-1-piperazinylmethanone was utilized in the fragment-based design of symmetrical bis-benzimidazole as inhibitors of R67 dihydrofolate reductase.