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

• ChemBase ID: 131330
• Molecular Formular: C14H18Cl2N2
• Molecular Mass: 285.21212
• Monoisotopic Mass: 284.08470395
• SMILES: Cc1cc(ccc1N)c1ccc(c(c1)C)N.Cl.Cl
• Canonical SMILES: Nc1ccc(cc1C)c1ccc(c(c1)C)N.Cl.Cl
• InChI: InChI=1S/C14H16N2.2ClH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H
• InChIKey: LUKPNZHXJRJBAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-amino-3-methylphenyl)-2-methylaniline dihydrochloride
• IUPAC Traditional name: tolidine dihydrochloride
• Synonyms: o-Tolidine dihydrochloride; 3,3′-Dimethylbenzidine dihydrochloride; 4,4′-Bianisidine dihydrochloride; 4,4′-Diamino-3,3′-dimethylbiphenyl dihydrochloride; 4,4'-Diamino-3,3'-dimethylbiphenyl dihydrochloride; 3,3'-Dimethylbenzidine dihydrochloride; o-Tolidine dihydrochloride, ACS; 3,3′-二甲基联苯胺 二盐酸盐; 4,4′-Bianisidine 二盐酸盐; 4,4′-二氨基-3,3′-二甲基联苯 二盐酸盐; 联邻甲苯胺 二盐酸盐; 邻甲苯胺二盐酸盐; 邻甲苯胺二盐酸盐, ACS

Database IDs

• CAS Number: 612-82-8
• EC Number: 210-322-5
• MDL Number: MFCD00012960
• Beilstein Number: 3713238
• PubChem SID: 162225608; 24889238; 24900363; 24863736
• PubChem CID: 108938

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

• Apperance: Solid; white to light yellow
• Melting Point: >300°C

Safety Information

• Storage Warning: Air Sensitive
• RTECS: DD1226000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077; UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 45-22-51/53
• Safety Statements: 53-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H350-H411-H401; H302-H350-H411
• GHS Precautionary statements: P201-P273-P308 + P313; P281-P273-P301+P310-P321-P405-P501A
• Personal Protective Equipment: 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
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥99.0% (HPLC); 97%
• Linear Formula: [-C6H3(CH3)-4-NH2]2 · 2HCl

DETAILS

Sigma Aldrich - T6269

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 - 89585

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

Sigma Aldrich - 380369

Application
Sensitive colorimetric reagent for gold and for free chlorine in water.
Packaging
25 g in glass bottle
Warning
May be carcinogenic.