1,2,3,4-tetrachloronaphthalene

• ChemBase ID: 10755
• Molecular Formular: C10H4Cl4
• Molecular Mass: 265.95076
• Monoisotopic Mass: 263.90671085
• SMILES: c1ccc2c(c1)c(c(c(c2Cl)Cl)Cl)Cl
• Canonical SMILES: Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl
• InChI: InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H
• InChIKey: NAQWICRLNQSPPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrachloronaphthalene
• IUPAC Traditional name: 1,2,3,4-tetrachloronaphthalene
• Synonyms: 1,2,3,4-Tetrachloronaphthalene solution; 1,2,3,4-Tetrachloronaphthalene; 1,2,3,4-四氯萘 溶液

Database IDs

• CAS Number: 20020-02-4
• EC Number: 203-806-2
• MDL Number: MFCD00021410
• Beilstein Number: 1875245
• PubChem SID: 24862962; 160974062
• PubChem CID: 29910

CALCULATED PROPERTIES

• Polarizability: 25.433577 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3789015
• LogD (pH = 7.4): 5.3789015
• Log P: 5.3789015
• Molar Refractivity: 61.7274 cm^3

PROPERTIES

Physical Property

• Melting Point: 196°C
• Flash Point: -.4 °F; -18 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Flammable (F); Nature polluting (N); Harmful (Xn)
• UN Number: 1145
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-25-33-60-61-62
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H336-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P331-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1145 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Concentration: 10 ng/μL in cyclohexane
• Grade: analytical standard, for environmental analysis

DETAILS

MP Biomedicals - 05218652

MP Biomedicals Rare Chemical collection