(2Z)-1,4-dichlorobut-2-ene

• ChemBase ID: 137277
• Molecular Formular: C4H6Cl2
• Molecular Mass: 124.99644
• Monoisotopic Mass: 123.98465555
• SMILES: C(/C=C\CCl)Cl
• Canonical SMILES: ClC/C=C\CCl
• InChI: InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1-
• InChIKey: FQDIANVAWVHZIR-UPHRSURJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-1,4-dichlorobut-2-ene
• IUPAC Traditional name: 1,4-dichloro-2-butene(cis)
• Synonyms: (2Z)-1,4-Dichloro-2-butene; (Z)-1,4-Dichlorobutene; 1,4-Dichloro-cis-2-butene; cis-1,2-Bis(chloromethyl)ethene; cis-1,4-Dichloro-2-butene; cis 1,4-Dichlorobutene; cis-1,4-Dichloro-2-butene; 顺-1,4-二氯-2-丁烯; 顺式-1,4-二氯-2-丁烯

Database IDs

• CAS Number: 1476-11-5
• EC Number: 216-021-5
• MDL Number: MFCD00062950
• Beilstein Number: 1719692
• PubChem SID: 24851705; 24861847; 162231541
• PubChem CID: 6432115

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0277202
• LogD (pH = 7.4): 2.0277202
• Log P: 2.0277202
• Molar Refractivity: 30.9742 cm^3
• Polarizability: 11.543982 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chlorform
• Apperance: Light-Yellow Clear Liquid
• Melting Point: -48 °C(lit.); -48°C
• Boiling Point: 151-153°C; 152 °C/758 mmHg(lit.)
• Flash Point: 131 °F; 55 °C; 55°C(132°F)
• Density: 1.188; 1.188 g/mL at 25 °C(lit.)
• Refractive Index: 1.4900; n20/D 1.489; n20/D 1.489(lit.)

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Moisture & Light Sensitive
• RTECS: EM4900000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 3390; UN3390
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 45-10-24/25-26-34-50/53; 45-24/25-26-34-50/53
• Safety Statements: 53-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H301-H311-H314-H330-H350-H400; H300-H310-H330-H350-H314-H318-H226-H400-H410
• GHS Precautionary statements: P201-P260-P273-P280-P284-P301 + P310; P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3390 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥94.0% (GC); 95%
• Grade: technical
• Linear Formula: ClCH2CH=CHCH2Cl

DETAILS

Sigma Aldrich - 195707

Packaging
25, 100 g in Sure/Seal™
5 g in glass bottle