3,4,5,6-Tetrabromo-o-xylene

HCID 17771

Basic information

CAS
2810-69-7
Standard SMILES
Cc1c(C)c(Br)c(Br)c(Br)c1Br
InChIKey
WVJRAJZMOVQFEC-UHFFFAOYSA-N
Molecular formula
C8H6Br4
Average molar mass
421.75 g/mol
Monoisotopic mass
417.72029859

Overview

3,4,5,6-tetrabromo-o-xylene is an off-white solid. (NTP, 1992)

Names & identifiers

Preferred name
3,4,5,6-Tetrabromo-o-xylene
IUPAC
1,2,3,4-tetrabromo-5,6-dimethylbenzene
English name
3,4,5,6-TETRABROMO-O-XYLENE
Molecular formula
C8H6Br4
Molecular weight
421.75

Names & synonyms

3,4,5,6-TETRABROMO-O-XYLENEBenzene, dimethyl-, tetrabromo deriv.O-TETRABROMOXYLENERefChem:485661TETRABROMODIMETHYLBENZENE3,4,5,6-tetrabromo-1,2-dimethylbenzene3,4,5,6-TETRABROMO-O-DIMETHYLBENZENE1,2,3,4-tetrabromo-5,6-dimethylbenzene2810-69-7Tetrabromo-o-xylene36059-21-9Benzene, 1,2,3,4-tetrabromo-5,6-dimethyl-
Show more names
o-Xylene, 3,4,5,6-tetrabromo-
Tetrabromo-ortho-xyleneXylene, tetrabromo derivativetetrabromoxyleneCCRIS 4868EINECS 252-851-41,2-Dimethyltetrabromobenzenetetrabrom-o-xylolNSC12002

Database identifiers

CAS
2810-69-7、36059-21-9
PubChem CID
17771
DTXSID
DTXSID701031116
EC Number
252-851-4
Nikkaji
J406.560C

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

SolubilityInsoluble (<1 mg/ml at 70 °F) (NTP, 1992)
Boiling Point705 to 707 °F at 760 mmHg (NTP, 1992)
Melting Point504 °F (NTP, 1992)
Physical Description3,4,5,6-tetrabromo-o-xylene is an off-white solid. (NTP, 1992)

Physicochemical properties

Melting point
262 °C · 262°C
Boiling point
303.01 °C · 303.01°C (rough estimate)
Density
2.2654 · 2.2654 (rough estimate)
refractive index
1.704 · 1.7040 (estimate)

Safety & regulation

Hazard information

Fire HazardsThe flash point of this material has not been determined, but it is probably non-flammable. (NTP, 1992)
Reactive GroupAryl Halides
Reactivity Profile · 1 item

Simple aromatic halogenated organic compounds, such as 3,4,5,6-TETRABROMO-O-XYLENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Air and Water ReactionsInsoluble in water.

Safety & protection

Fire FightingFires associated with this material can be controlled with a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Chemistry & industry

Suppliers2 total

HONEST JOY HOLDINGS LIMITED[email protected]
Service Chemical Inc.[email protected]

Related reactions

5 records

Compound notes

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