bis(4-(methylamino)phenol); sulfuric acid

• ChemBase ID: 108219
• Molecular Formular: C14H20N2O6S
• Molecular Mass: 344.3834
• Monoisotopic Mass: 344.10420737
• SMILES: OS(=O)(=O)O.CNc1ccc(O)cc1.CNc1ccc(O)cc1
• Canonical SMILES: OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O
• InChI: InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-2-4-7(9)5-3-6;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)
• InChIKey: ZVNPWFOVUDMGRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-(methylamino)phenol); sulfuric acid
• IUPAC Traditional name: bis(p-methylaminophenol); sulfuric acid
• Synonyms: Metol; 4-(Methylamino)phenol sulfate, ACS; Bis(4-hydroxy-N-methylanilinium) sulfate; 4-(Methylamino)phenol sulfate; p-METHYLAMINOPHENOL SULFATE; Metol; N-methyl-p-aminophenol sulfate; p-(methylamino)phenol sulfate; monomethyl-p-aminophenol hemisulfate; Metoe; Eloe; Rhodoe; Enee; Viteroe; Scaloe; Genoe; Satrapol.; 4-(Methylamino)phenol hemisulfate salt; ECOL™; Metol; 4-(Methylamino)phenol hemisulfate salt; bis(4-(methylamino)phenol); sulfuric acid; 米吐尔; 4-甲基氨基苯酚硫酸盐, ACS; 4-(甲氨基)苯酚硫酸盐; 4-(甲氨基)苯酚 半硫酸盐; 米吐尔; 4-(甲氨基)苯酚 半硫酸盐

Database IDs

• CAS Number: 55-55-0
• EC Number: 200-237-1
• MDL Number: MFCD00013140
• Beilstein Number: 3919382
• Merck Index: 146017
• PubChem SID: 24849326; 162088350; 24885972; 24859237
• PubChem CID: 5930
• CHEBI ID: 55413
• Chemspider ID: 5717
• KEGG ID: C11206
• Unique Ingredient Identifier: D3W0VWG12M
• Wikipedia Title: Metol

CALCULATED PROPERTIES

• Acid pKa: 10.365575
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.47545755
• LogD (pH = 7.4): 1.1212661
• Log P: 1.1424587
• Molar Refractivity: 38.2327 cm^3
• Polarizability: 13.911617 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL, clear
• Apperance: white to faintly beige; White to pale cream powder
• Melting Point: 244 - 246°C; 260 °C (dec.)(lit.); 260°C; ca 260°C dec.; ca. 260°C dec.
• Auto Ignition Point: 989 °F
• Hydrophobicity(logP): 0.974

Safety Information

• Storage Warning: Air & Light Sensitive
• RTECS: SL8650000
• European Hazard Symbols: Nature polluting (N); T; ; X; Harmful (Xn)
• UN Number: 3077; UN2811
• German water hazard class: 3
• Hazard Class: 6.1; 9
• Packing Group: 3; III
• Risk Statements: 22-43-48/22-50/53; R:22-43-48/22-50/53
• Safety Statements: 36/37-46-60-61; S:46-60-61-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H317-H373-H410; H373-H400-H410-H302-H317
• GHS Precautionary statements: P260-P261-P280-P302+P352-P321-P501A; P273-P280-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥90% (HPLC); ≥98% (HPLC); ≥98.0% (HPLC); ≥99.0%; ≥99.0% (NT); 95%; 98%; 99%; 99.0-101.5%; 99.0-101.5% (ACS specification)
• Grade: ACS reagent; for photographic purposes; purum; technical
• Suitability: passes test for determination of phosphate
• Ignition Residue: ≤0.1%
• Impurities: ≤1% aminophenol
• Quality: for spectrophotometric det. of inorganic phosphate
• Linear Formula: C7H9NO · 1/2H2SO4

DETAILS

MP Biomedicals - 05206515

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 320013

Packaging
100, 500 g in poly bottle
Legal Information
ECOL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 129720

Legal Information
ECOL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 15501

Packaging
1 kg in poly bottle
100 g in poly bottle
25 kg in fiber drum
Legal Information
ECOL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 69748

Legal Information
ECOL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 69750

Legal Information
ECOL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 69749

Legal Information
ECOL is a trademark of Sigma-Aldrich Co. LLC