benzene-1,4-diamine

• ChemBase ID: 85772
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: Nc1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)N
• InChI: InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
• InChIKey: CBCKQZAAMUWICA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzene-1,4-diamine
• IUPAC Traditional name: p-phenylenediamine
• Synonyms: p-Phenylenediamine; (4-Aminophenyl)amine; 1,4-Diaminobenzol; 4-Aminoaniline; 4-Phenylenediamine; BASF Ursol D; Benzofur D; C.I. Developer 13; Developer PF; Durafur Black R; Fouramine D; Peltol D; Fourrine 1; Fourrine D; p-Diaminobenzene; PPD; 1,4-Phenylenediamine; 1,4-Diaminobenzene; p-Phenylenediamine; Paraphenylenediamine; 1,4-Benzenediamine; 1,4-Diaminobenzene; 1,4-Phenylenediamine; p-PHENYLENEDIAMINE; Benzene-1,4-diamine; 4-aminophenylamine; 1,4-二氨基苯; 1,4-苯二胺; 对二氨基苯; 对苯二胺

Database IDs

• CAS Number: 106-50-3
• EC Number: 203-404-7
• MDL Number: MFCD00007901
• Beilstein Number: 742029
• Merck Index: 147285
• PubChem SID: 162072888; 24856630; 24898724; 24887301
• PubChem CID: 7814
• KEGG ID: C19499
• Unique Ingredient Identifier: U770QIT64J
• Wikipedia Title: P-Phenylenediamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.66595453
• LogD (pH = 7.4): 0.2688585
• Log P: 0.3153939
• Molar Refractivity: 35.4588 cm^3
• Polarizability: 12.613847 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 10% at 40°C, 87% at 107 C, 100% at 140 C in water; Chloroform; Methanol; Soluble in alcohol, chloroform, ether; Water
• Apperance: Pale Pink Solid; sublimed; White crystalline solid, darkens upon exposure to air
• Melting Point: 138-142°C; 138-143 °C; 138-143 °C(lit.); 139-141°C; 140-142°C; 142 - 144°C; 145 - 147°C; 147 °C
• Boiling Point: 267 °C; 267 °C(lit.); 267°C; 267-271°C
• Flash Point: 110 °C; 155.5°C; 156°C; 156°C(312°F); 230 °F
• Vapor Pressure: 1.08 mmHg ( 100 °C); Very low
• Vapor Density: 3.7 (vs air); 3.73 (air = 1)
• Hydrophobicity(logP): -0.312

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C), Store Under Nitrogen, Protect from light
• Storage Warning: Toxic/Store under Nitrogen
• RTECS: SS8050000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1673; UN1673
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 23/24/25-36-43-50/53; R:23/24/25-36-43-50/53; R23 R24 R25 R36 R37 R38 R40 R42 R43
• Safety Statements: 28-36/37-45-60-61; S:28-45-60-61-36/37; S26 S36 S37 S39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H317-H319-H331-H410; H301-H311-H331-H319-H317-H400-H410
• GHS Precautionary statements: P261-P273-P280-P301 + P310-P305 + P351 + P338-P311; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1673 6.1/PG 3

Product Information

• Purity: ≥97.0% (GC/NT); ≥99%; ≥99.0% (GC/NT); 95%; 95+%; 97%
• Grade: technical; zone-refined
• Description: anti-fade reagent
• Purified By: sublimation
• Linear Formula: C6H4(NH2)2

DETAILS

MP Biomedicals - 02151830

Crystalline
Free Base
This product will darken during storage.

Sigma Aldrich - 78429

Packaging
100, 250 g in glass bottle

Sigma Aldrich - P6001

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Application
Anti-fade reagent added to the mounting medium in fluorescence microscopy to retard photobleaching of fluorescein and other fluorescent dyes.
Biochem/physiol Actions
Electron Donor. Reduces cytochrome c.
Caution
Darkens in storage.
包装
1 kg in glass bottle
50, 100, 250 g in glass bottle

Sigma Aldrich - 695106

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 275158

Packaging
1 g in glass bottle
250 mg in glass bottle

Toronto Research Chemicals - P319845

A hair dye component, paraphenylenediamine, as a contact allergen for treatment of inflammatory diseases.

REFERENCES

• Baud, F., et al.: J. Toxicol. Med., 4, 279 (1982)
• Ashraf, W., et al.: Human Exp. Toxicol., 13, 167 (1982)
• Chugh, K., et al.: J. Med., 13, 131 (1982)