4-(4-amino-3-methylphenyl)-2-methylaniline

• ChemBase ID: 105985
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: Cc1cc(ccc1N)c1ccc(N)c(C)c1
• Canonical SMILES: Nc1ccc(cc1C)c1ccc(c(c1)C)N
• InChI: InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
• InChIKey: NUIURNJTPRWVAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-amino-3-methylphenyl)-2-methylaniline
• IUPAC Traditional name: tolidine
• Synonyms: 3,3′-Dimethylbenzidine; 4,4'-Diamino-3,3'-dimethylbiphenyl; 4-(4-amino-3-methylphenyl)-2-methylaniline; 3,3'-Dimethyl-[1,1'-biphenyl]-4,4'-diamine; o-TOLIDINE PRACTICAL GRADE; 4,4′-Bianisidine; o-Tolidine; o-Tolidine; Orthotolidine; Diaminoditolyl; Diaminotolyl; Bianisidine; Tolidine blue; 3,3'-Dimethylbenzidine; 4,4'-Bi-o-toluidine; Tolidine; Ellms-Hauser solution; o-Tolidine solution; 邻甲苯胺; 3,3′-二甲基联苯胺; 联邻甲苯胺; Ellms-Hauser 溶液; 邻联甲苯胺 溶液

Database IDs

• CAS Number: 119-93-7
• EC Number: 204-358-0
• MDL Number: MFCD00014773
• Beilstein Number: 2210640
• Merck Index: 149514
• PubChem SID: 24869790; 24900054; 24889237; 162088997; 24889236; 24900539
• PubChem CID: 8413
• KEGG ID: C14443
• Wikipedia Title: Tolidine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9398131
• LogD (pH = 7.4): 2.9888072
• Log P: 2.9894621
• Molar Refractivity: 70.6774 cm^3
• Polarizability: 27.19773 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1.3 g/L in water; 2% HCl: soluble10 mg/mL, clear
• Apperance: light brown crystalline; powder
• Melting Point: 128-131 °C(lit.); 128-132°C; 129°C; 129-131 °C (264-268 °F)
• Boiling Point: 300.5°C; 300-301°C; Reported values vary. 300 °C (572 °F); 415 °C (779 °F).
• Flash Point: 100 °C; 212 °F; 244 °C; 244°C(471°F)
• Density: 1.0 (water = 1); 1.23 g/cm^3
• Refractive Index: n20/D 1.341
• Vapor Pressure: Not available. Probably very low.
• Hydrophobicity(logP): 2.474

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: DD1225000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811; 3077; 3082; UN3077
• German water hazard class: 3
• Hazard Class: 6.1; 9
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 45-22-51/53; 45-34-37; R:22-45-51/53; R45 R22 R51/53
• Safety Statements: 53-26-36/37/39-45; 53-45-61; S:45-53-61; S53 S45 S61
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H350-H411-H401; H302-H350-H411; H314-H335-H350
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P310; P201-P273-P308 + P313; P281-P273-P301+P310-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3077 9/PG 3; UN 3082 9/PG 3

Product Information

• Purity: ≥97%; ≥97.0% (calc. based on dry substance, NT); ≥98.0%; ≥98.0% (NT); 95%; 98%
• Concentration: ~0.1 % (w/v)
• Grade: analytical standard, for environmental analysis; PRACTICAL; technical; technical grade
• Impurities: ~15% water; ≥0.1% o-tolidine
• Quality: for spectrophotometric det. of Au, Ce, Cl, free halogens, Mn; for spectrophotometric det. of Au, Cl
• Linear Formula: [-C6H3(CH3)-4-NH2]2
• Empirical Formula (Hill Notation): C14H16N2

DETAILS

MP Biomedicals - 05218664

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02195524

Practical Grade

Sigma Aldrich - T3501

Application
用于检测金和水中游离氯的高灵敏度比色试剂。
Warning
可能致癌。

Sigma Aldrich - T35475

Application
Sensitive colorimetric reagent for gold and for free chlorine in water.
Warning
May be carcinogenic.

Sigma Aldrich - 31659

Application
Sensitive colorimetric reagent for gold and for free chlorine in water.
Warning
May be carcinogenic.

Sigma Aldrich - 89584

General description
Visit our Titration Center to learn more.
Other Notes
Reagent for the determination of chlorine, chloride, gold, etc1,2,3,4

Sigma Aldrich - 89583

Application
Sensitive colorimetric reagent for gold and for free chlorine in water.
Warning
May be carcinogenic.

Sigma Aldrich - 89580

Analysis Note
Sensitivity:1 mL of a 0.1% hydrochloric acid solution gives with 0.0025 mg active chlorine a visible yellow coloration.
Application
Sensitive colorimetric reagent for gold and for free chlorine in water.
Warning
May be carcinogenic.

Sigma Aldrich - T8533

Application
用于检测金和水中游离氯的高灵敏度比色试剂。
Warning
可能致癌。

Sigma Aldrich - 30-3240

Other Notes
Reagent for the determination of chlorine, chloride, gold, etc1,2,3,4