CAS 630-25-1 1,2-Dibromo-1,1,2,2-tetrachloroethane (HCID 69426)

Overview

structure in first source

Names & identifiers

Preferred name: 1,2-Dibromo-1,1,2,2-tetrachloroethane
IUPAC: 1,2-dibromo-1,1,2,2-tetrachloroethane
English name: 1,2-Dibromotetrachloroethane
Molecular formula: C2Br2Cl4
Molecular weight: 325.64

Names & synonyms

1,2-Dibromotetrachloroethane630-25-11,2-Dibromo-1,1,2,2-tetrachloroethaneEthane, 1,2-dibromo-1,1,2,2-tetrachloro-0SGG217EFRDTXSID20212209RefChem:71834DTXCID70134700211-136-7Dbtcesym-DibromotetrachloroethaneMFCD00000780

Show more names

1,2-DibromotetrachL11,2-DIBROMOTETRACHLOROETHANEEthane, 1,2-dibromo-tetrachloro-1,2-DibroMotetrachloroethane 97%1,2-Dibromotetrachloroethane,97%

UNII-0SGG217EFREINECS 211-136-7C2Br2Cl4BrCCl2CCl2BrBRN 1699471AI3-631711,2-dibrom-tetrachlorethaneSCHEMBL320888

Database identifiers

CAS: 630-25-1
PubChem CID: 69426
DTXSID: DTXSID20212209
UNII: 0SGG217EFR
EC Number: 211-136-7
Nikkaji: J79.772C

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 78

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 215 · 215-220 °C (dec.) (lit.)
Boiling point: 219 ℃ · 219℃
Density: 2.713 g/mL · 2.713 g/mL at 25 °C (lit.)
refractive index: 1.51 · 1.5100 (estimate)
Flash point: 105 ℃ · 105℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Crystalline Powder, Crystals and/or Chunks
color: White to beige
Water Solubility: Insoluble in water.
BRN: 1699471 · 1699471
Stability: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C2Br2Cl4/c3-1(5,6)2(4,7)8
InChIKey: WJUKOGPNGRUXMG-UHFFFAOYSA-N
SMILES: C(Br)(Cl)(Cl)C(Br)(Cl)Cl
CAS DataBase Reference: 630 · 630-25-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 0 SGG217EFR · 0SGG217EFR
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 9366000 · KH9366000
HS Code: 29037800 · 29037800
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (13.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1,2-Dibromotetrachloroethane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (13.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: KH9366000
hs_code: 29037800
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications · 3 items

Description1, 2-dibromotetrachloroethane (DBTCE) is a commonly used and mild bromination reagent, suitable for the bromination reaction of alkenes. DBTCE can effectively inhibit the Wagner-Meerwein rearrangement reaction during the bromination process of bicyclic alkenes. In addition, DBTCE is also used to establish a room-temperature catalytic cycle to convert thiocarbonyl compounds into their oxygen analogues. Because DBTCE is relatively expensive, it has not been classified as an ozone-depleting substance.

Uses1,2-dibromotetrachloroethane is used as a fire-proofing agent. It is actively involved in the conversion of sulfones to alkenes by Ramberg-Backlund rearrangement. It is an effective replacement for ozone depleting solvents like dibromodifluoromethane and tetrabromodifluoroethane. It is also utilized as a brominating reagent. In analytical chemistry, it is used in quantitative determination of perhalogenated compounds by high-performance liquid chromatography (HPLC).

General Description1,2-Dibromotetrachloroethane acts as halogenating reagent for the one-pot conversion of sulfones to alkenes by Ramberg-Bcklund rearrangement. It is a useful brominating reagent for diaryl TeII species.