5-(4-Nitrophenyl)furfuryl alcohol

HCID 688256CAS 33342-30-2

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1ccc(-c2ccc(CO)o2)cc1
InChIKey: SRCRGLMTENDDRR-UHFFFAOYSA-N
Molecular formula: C11H9NO4
Average molar mass: 219.19 g/mol
Monoisotopic mass: 219.05315777

Names & identifiers

Preferred name: 5-(4-Nitrophenyl)furfuryl alcohol
IUPAC: [5-(4-nitrophenyl)furan-2-yl]methanol
English name: 5-(4-Nitrophenyl)furfuryl alcohol
Molecular formula: C11H9NO4
Molecular weight: 219.19

Names & synonyms

5-(4-Nitrophenyl)furfuryl alcohol33342-30-2DTXSID00350850RefChem:300105DTXCID90301917623-616-7[5-(4-nitrophenyl)furan-2-yl]methanol(5-(4-nitrophenyl)furan-2-yl)methanol[5-(4-NITROPHENYL)-2-FURYL]METHANOL(5-{4-nitrophenyl}-2-furyl)methanol[5-(4-nitrophenyl)-2-furyl]methan-1-ol5-(p-nitrophenyl)furfurol

Show more names

AKOS BB-8338ASISCHEM T31193ART-CHEM-BB B025351TIMTEC-BB SBB009966RARECHEM AL BD 07415-(4-NITROPHENYL)-2-FURANMETHANOL2-Furanmethanol, 5-(4-nitrophenyl)-5-(4-NITROPHENYL)-2-FURFURYL ALCOHOL[5-(4-NITRO-PHENYL)-FURAN-2-YL]-METHANOL

Oprea1_451883SCHEMBL3383497SRCRGLMTENDDRR-UHFFFAOYSA-N5-(p-Nitrophenyl)furfuryl alcoholBBL028451MFCD00239351SBB009966STK016488

Database identifiers

CAS: 33342-30-2
PubChem CID: 688256
DTXSID: DTXSID00350850
EC Number: 623-616-7

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 79.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 245

Physicochemical properties

Melting point: 134 · 134-138 °C(lit.)
CAS DataBase Reference: 33342 · 33342-30-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P