2-Nitrofuran
Basic information
- CAS
27194-24-7- Standard SMILES
O=[N+]([O-])c1ccco1- InChIKey
FUBFWTUFPGFHOJ-UHFFFAOYSA-N- Molecular formula
- C4H3NO3
- Average molar mass
- 113.07 g/mol
- Monoisotopic mass
- 113.01129296
Overview
2-nitrofuran is a member of furans and a C-nitro compound.
Names & identifiers
- Preferred name
- 2-Nitrofuran
- IUPAC
- 2-nitrofuran
- English name
- 2-Nitrofuran
- Molecular formula
- C4H3NO3
- Molecular weight
- 113.07
Names & synonyms
2-NITROFURAN609-39-25-NitrofuranFuran, 2-nitro-AI3-23606NSC 59983BRN 011252317EZI4D981NSC-59983CHEBI:34890DTXSID808706825-17-01-00296 (Beilstein Handbook Reference)
Show more names
Nitrofuran2-nitro-fura2-Nitrofurane
RefChem:477204DTXCID80818382625-946-727194-24-7Furan, nitro-MFCD00013442Nitrofuran (VAN)NSC 59983; Nitrofuran;
Database identifiers
- CAS
27194-24-7、609-39-2- PubChem CID
- 11865
- DTXSID
DTXSID80870682- ChEBI
CHEBI:34890- UNII
- 17EZI4D981
- EC Number
- 625-946-7
- Nikkaji
- J489H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 97.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP0.66
Physicochemical properties
- Melting point
- 29 · 29-33 °C (lit.)
- Boiling point
- 84 °C/13 · 84 °C/13 mmHg (lit.)
- Density
- 1.5808 · 1.5808 (rough estimate)
- refractive index
- 1.4543 · 1.4543 (estimate)
- Flash point
- 191 °F · 191 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Methanol
- form
- Solid
- color
- Clear Colorless to Off-White
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C4H3NO3/c6-5(7)4-2-1-3-8-4/h1-3H
- InChIKey
- FUBFWTUFPGFHOJ-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccco1
- CAS DataBase Reference
- 609 · 609-39-2
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 17 EZI4D981 · 17EZI4D981
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 228 · H228-H302+H312+H332-H351
- Precautionary statements
- 210 · P210-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-40
- Safety Statements
- 7 · 7-23-36/37/39-45
- RIDADR
- 1325 · UN 1325 4.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3100000 · LU3100000
- HS Code
- 2932190090 · 2932190090
- Storage Class
- 4.1 B · 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Flam. Sol. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P203, P210, P240, P241, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P370+P378, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 CategoriesFlam. Sol. 1 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- LU3100000
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 2932190090
- risk_code
- 20/21/22-40
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 7-23-36/37/39-45
- Storage Class
- 4.1B - Flammable solid hazardous materials
- Hazard statements
- H228-H302+H312+H332-H351
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Flam. Sol. 1
- Precautionary statements
- P210-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
Chemistry & industry
Applications
UsesNitrofurans are a class of broad-spectrum antibacterial compounds that are commonly added to water to destroy bacteria. However, nitrofurans have recently been withdrawn for use in the United States by the US Food and Drug Administration (FDA). Now, 2-nitrofuran is used as a minor antimicrobial in veterinary medicine.
Uses2-NITROFURAN is a minor antimicrobial used in veterinary medicine.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 2-nitrofuran is a member of furans and a C-nitro compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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