benzene-1,4-diamine dihydrochloride

• ChemBase ID: 111011
• Molecular Formular: C6H10Cl2N2
• Molecular Mass: 181.063
• Monoisotopic Mass: 180.02210369
• SMILES: Cl.Cl.Nc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)N.Cl.Cl
• InChI: InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H
• InChIKey: IYXMNTLBLQNMLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzene-1,4-diamine dihydrochloride
• IUPAC Traditional name: p-phenylenediamine dihydrochloride
• Synonyms: 1,4-Benzenediamine dihydrochloride; 1,4-Diaminobenzene dihydrochloride; p-Phenylenediamine dihydrochloride; P-PHENYLENEDIAMINE DIHYDROCHLORIDE; 1,4-Phenylenediamine dihydrochloride; Benzene-1,4-diamine dihydrochloride; 对苯二胺二盐酸盐; 1,4-苯二胺 二盐酸盐; 对二氨基苯 二盐酸盐

Database IDs

• CAS Number: 624-18-0
• EC Number: 210-834-9
• MDL Number: MFCD00013002
• Beilstein Number: 3911749
• Merck Index: 147285
• PubChem SID: 24887309; 162096044; 24898210
• PubChem CID: 12205

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

• Melting Point: ca 265°C

Safety Information

• RTECS: ST0350000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1673; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 23/24/25-36-43-50/53
• Safety Statements: 1/2-28-36/37-45-60-61; 28-36/37-45-60-61
• 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: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1673 6.1/PG 3

Product Information

• Purity: ≥99.0%; 95+%; 99%
• Linear Formula: C6H4(NH2)2·2HCl

DETAILS

MP Biomedicals - 05217389

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P1519

Caution
储存中颜色会变深。

Sigma Aldrich - 78460

Packaging
100 g in glass bottle