1,2-dibromoethane

• ChemBase ID: 106211
• Molecular Formular: C2H4Br2
• Molecular Mass: 187.86116
• Monoisotopic Mass: 185.86797413
• SMILES: BrCCBr
• Canonical SMILES: BrCCBr
• InChI: InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
• InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromoethane
• IUPAC Traditional name: dibromoethane
• Synonyms: 1,2-dibromoethane; 1,2-DIBROMO TETRADEUTERO ETHANE; Bromuro di etile; Dibromure d'ethylene; Ethylene bromide; Glycol bromide; alpha,beta-Dibromoethane; sym-Dibromoethane; 1,2-DIBROMOETHANE, CERTIFIED GRADE; 1,2-Dibromaethan; 1,2-Dibroomethaan; 1,2-Ethylene dibromide; Ethylene dibromide; EDB; 1,2-Dibromoethane; 1,2-Dibromoethane solution; 二溴化乙烯; 1,2-二溴乙烷; 1,2-二溴乙烷 溶液

Database IDs

• CAS Number: 22581-63-1; 106-93-4
• EC Number: 203-444-5
• MDL Number: MFCD00000233
• Beilstein Number: 605266
• Merck Index: 143796
• PubChem SID: 24864873; 162087287; 24854427; 24893813; 24860068
• PubChem CID: 7839
• CHEBI ID: 28534
• CHEMBL: 452370
• Chemspider ID: 7551
• KEGG ID: C11088
• MeSH Name: Ethylene+Dibromide
• Wikipedia Title: 1,2-Dibromoethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8714951
• LogD (pH = 7.4): 1.8714951
• Log P: 1.8714951
• Molar Refractivity: 26.6226 cm^3
• Polarizability: 10.465909 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: 8-11 °C(lit.); 9.35000000000002 - 10.15°C (282.5 - 283.3 K); 9-10°C; 9-10°C
• Boiling Point: 128.85 - 132.85°C (402 - 406 K); 131-132 °C(lit.); 131-132°C; 132°C
• Flash Point: >104 °C; None
• Density: 2.179; 2.18 g mL^-1; 2.18 g/mL at 25 °C(lit.); 2.180
• Refractive Index: 1.5385; 1.539; n20/D 1.539; n20/D 1.539(lit.)
• Vapor Pressure: 1.56 kPa; 11.7 mm Hg @ 25 deg C; 11.7 mmHg ( 25 °C)
• Vapor Density: ~6.5 (vs air); 6.5 g/L
• Partition Coefficient: 1.93
• Henry Constant: 14 μmol Pa kg^-1
• Heat Capacity: 134.7 J K^-1 mol^-1
• Std enthalpy of combustion: -1.2419–-1.2387 MJ mol^-1
• Std molar entropy: 223.30 J K^-1 mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Light Sensitive
• RTECS: KH9275000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Highly toxic (T+)
• UN Number: 1230; 1605; UN1605
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; 2; I; I (Truck Only)
• Australian Hazchem: 2XE
• Risk Statements: 45-23/24/25-36/37/38-51/53; R:23/24/25-36/37/38-45-51/53; R45, R23/24/25, R36/37/38, R51/53
• Safety Statements: 53-45-61; S:45-53-61; S45
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• EU Index: 602-010-00-6
• GHS Pictograms: GHS environment; GHS health hazard; GHS skull and crossbones; GHS06; GHS08; GHS09
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  0

  3

  0
• LD50: 110.0 mg kg^-1 (oral, guinea pig); 130.0 mg kg^-1 (oral, quail); 300.0 mg kg^-1 (dermal, rabbit); 55.0 mg kg^-1 (oral, rabbit); 79.0 mg kg^-1 (oral, chicken)
• GHS Hazard statements: 301, 311, 315, 319, 331, 335, 350, 411; H301-H311-H315-H319-H331-H335-H350-H411; H301-H311-H331-H315-H319-H335-H350-H411
• GHS Precautionary statements: 261, 273, 280, 301+310, 305+351+338; P201-P261-P273-P280-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1230 6.1/PG 2; UN 1605 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); ≥99%; 97%; 98%; 99%
• Concentration: 5000 μg/mL in methanol
• Grade: analytical standard; PESTANAL®, analytical standard; purum
• Packaging: ampule of 1 mL
• Linear Formula: BrCH2CH2Br
• Empirical Formula (Hill Notation): C2H4Br2

DETAILS

MP Biomedicals - 05223030

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 240656

Other Notes
May darken in storage
Packaging
5, 100 g in glass bottle

Sigma Aldrich - D40752

Other Notes
May darken in storage
Packaging
1 kg in glass bottle
5, 250 g in glass bottle

Sigma Aldrich - 31040

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 33423

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH