CAS 1568-70-3 Phenol, 4-methoxy-2-nitro- (HCID 15285)

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Basic information

CAS: 1568-70-3
Standard SMILES: COc1ccc(O)c([N+](=O)[O-])c1
InChIKey: YBUGOACXDPDUIR-UHFFFAOYSA-N
Molecular formula: C7H7NO4
Average molar mass: 169.13 g/mol
Monoisotopic mass: 169.0375077

Names & identifiers

Preferred name: Phenol, 4-methoxy-2-nitro-
IUPAC: 4-methoxy-2-nitrophenol
English name: 4-Methoxy-2-nitrophenol
Molecular formula: C7H7NO4
Molecular weight: 169.13

Names & synonyms

1568-70-3Phenol, 4-methoxy-2-nitro-DTXSID80166133RefChem:172821DTXCID0088624YBUGOACXDPDUIR-UHFFFAOYSA-N4-METHOXY-2-NITROPHENOL4-Hydroxy-3-nitroanisoleMFCD000242472-Nitro-4-methoxyphenol4-methoxy-2-nitro-phenol4-Methoxy-2-nitrophenol #

Show more names

TIMTEC-BB SBB0084474-Methoxy-2-nitrophenol>4-Methoxy-2-nitrophenol,98%4-Methoxy-2-nitrophenol,99+%4-METHOXY-2-NITROPHENOL, TECH.4-Methoxy-2-nitrophenol≥ 98% (GC)3-NITROHYDROQUINONE MONO-METHYL ETHER

SCHEMBL182941SCHEMBL8225900CS-W017725SY024430EN300-20943AM808216FT-0618644A19935

Database identifiers

CAS: 1568-70-3
PubChem CID: 15285
DTXSID: DTXSID80166133
EC Number: 629-116-5
Nikkaji: J482.424E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 75.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP2.02

Physicochemical properties

Melting point: 78 · 78-80 °C (lit.)
Boiling point: 298.4 °C · 298.4°C (rough estimate)
Density: 1.3375 · 1.3375 (estimate)
refractive index: 1.583 · 1.5830 (rough estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in methanol almost transparency.
pka: 7.33 · 7.33±0.14(Predicted)
form: powder to crystal
color: Light yellow to Brown
Henry's Law Constant: 5.3 · 5.3×100 mol/(m3Pa) at 25℃, Tremp et al. (1993)
InChI: 1S/C7H7NO4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3

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 46 reports by companies from 6 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

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29095000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-24/25
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Methoxy-2-nitrophenol can treat obesity, prevent weight gain, promote weight loss, promote slimming, or treat or prevent the development of diabetes.