3-Furancarboxaldehyde, tetrahydro- (HCID 157568)

Names & identifiers

Preferred name: 3-Furancarboxaldehyde, tetrahydro-
IUPAC: oxolane-3-carbaldehyde
English name: Tetrahydrofuran-3-carboxaldehyde
Molecular formula: C5H8O2
Molecular weight: 100.12

Names & synonyms

Tetrahydrofuran-3-carbaldehyde79710-86-43-Furancarboxaldehyde, tetrahydro-tetrahydro-3-furancarboxaldehydeDTXSID60888563EC 629-664-5RefChem:502102DTXCID601027839629-664-5oxolane-3-carbaldehydeTETRAHYDROFURAN-3-CARBOXALDEHYDEtetrahydro-3-furancarbaldehyde

Show more names

3-Formyl-THFtetrahydro-3-furaldehyd3-formyltetrahydrofuranvtetrahydro-3-furancarbaldehydetetrahydro-3-furancarboxaldehyd

MFCD02101976tetrahydrofuran-3-carboxyaldehyde(oxolan-3-yl)formaldehydeSCHEMBL67754AKOS000121109CS-W004272SY046752Tetrahydrofuran-3-carbaldehyde, 50% in water

Database identifiers

CAS: 79710-86-4
PubChem CID: 157568
DTXSID: DTXSID60888563
ChEMBL: CHEMBL2228161
EC Number: 629-664-5
Nikkaji: J876.205H

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 70.5

Physicochemical properties

Boiling point: 99 °C · 99 °C
Density: 1.106 g/mL · 1.106 g/mL at 25 °C
refractive index: 20 · n20/D 1.416
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: Liquid
Appearance: Colorless to light yellow Liquid
InChI: 1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2
InChIKey: GSUBXIVOZXWGKF-UHFFFAOYSA-N
SMILES: O=CC1CCOC1
EPA Substance Registry System: 3 · 3-Furancarboxaldehyde, tetrahydro- (79710-86-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 318 · H318
Precautionary statements: 280 · P280-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 5 · 5-19-41
Safety Statements: 26 · 26-36/37/39-39
WGK Germany: -
TSCA: TSCA listed
HS Code: 2912490090 · 2912490090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 · Eye Dam. 1
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (72.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 18-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11049

Hazard Classes and CategoriesAcute Tox. 4 (72.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: -
tsca: TSCA listed
hs_code: 2912490090
risk_code: 5-19-41
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
safety_code: 26-36/37/39-39
Storage Class: 10 - Combustible liquids
Hazard statements: H318
REACH Registrations: Inactive
Hazard Classifications: Eye Dam. 1
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Furancarboxaldehyde, tetrahydro-: ACTIVE

Applications · 2 items

Uses2-(Tetrahydrofuran-3-yl)acetaldehyde is a reagent used in the preparation of several pharmaceutical agents. It is used in the prepoaration of ortho-amino benzamides and nicotinamides as MCHr1 (Melanin-concentrating hormone receptor 1) antagonists, used in the therapeutic treatment of obesity. Also used in the pereparation of Tsg101-directed HIV-1 budding antagonists for application towards late-stage HIV-1 infection.

General DescriptionThe product is a 50 wt.% solution of tetrahydrofuran-3-carboxaldehyde in water.