2,3-dichlorobutane

• ChemBase ID: 106975
• Molecular Formular: C4H8Cl2
• Molecular Mass: 127.01232
• Monoisotopic Mass: 126.00030562
• SMILES: CC(Cl)C(C)Cl
• Canonical SMILES: CC(C(Cl)C)Cl
• InChI: InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3
• InChIKey: RMISVOPUIFJTEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichlorobutane
• IUPAC Traditional name: 2,3-dichlorobutane
• Synonyms: 2,3-DICHLOROBUTANE; 2,3-Dichlorobutane,mixture of dl and meso; 2,3-Dichlorobutane, (±) + meso; 2,3-二氯丁烷，外消旋和内消旋型混合物; 2,3-二氯丁烷, (+/-)+内消旋

Database IDs

• CAS Number: 7581-97-7
• EC Number: 231-486-4
• MDL Number: MFCD00000866
• PubChem SID: 162093145
• PubChem CID: 24233

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3336546
• LogD (pH = 7.4): 2.3336546
• Log P: 2.3336546
• Molar Refractivity: 29.4932 cm^3
• Polarizability: 11.7953205 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -80 °C(lit.); -80°C
• Boiling Point: 117-119 °C(lit.); 117-119°C
• Flash Point: 18 °C; 18°C(65°F); 64.4 °F
• Density: 1.107; 1.107 g/mL at 25 °C(lit.)
• Refractive Index: 1.4420; n20/D 1.442(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1993; UN1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11; 11-22-43
• Safety Statements: 16-29-33; 16-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H302-H317
• GHS Precautionary statements: P210-P261-P273-P243; P210-P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 98%; 99%
• Linear Formula: CH3CH(Cl)CH(Cl)CH3

DETAILS

MP Biomedicals - 05202104

MP Biomedicals Rare Chemical collection