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Tetrachloro-o-xylene, (solid)

HCID 522883
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
877-08-7
Standard SMILES
Cc1c(C)c(Cl)c(Cl)c(Cl)c1Cl
InChIKey
SCOSFGXUBLANNC-UHFFFAOYSA-N
Molecular formula
C8H6Cl4
Average molar mass
243.9 g/mol
Monoisotopic mass
241.922361

Overview

Tetrachloro-o-xylene, [solid] appears as a powdered or flaked solid. Insoluble in water. Very strongly irritates skin, eyes or mucous membranes. May be toxic by ingestion.

Names & identifiers

Preferred name
Tetrachloro-o-xylene, (solid)
IUPAC
1,2,3,4-tetrachloro-5,6-dimethylbenzene
English name
1,2,3,4-Tetrachloro-5,6-Dimethylbenzylene
Molecular formula
C8H6Cl4
Molecular weight
243.95

Names & synonyms

Tetrachloro-o-xylene, [solid]3,4,5,6-TETRACHLORO-O-XYLENETetrachloro-o-xylene, (solid)RefChem:896803O-XYLENE, 3,4,5,6-TETRACHLORO-1,2,3,4-tetrachloro-5,6-dimethylbenzene877-08-7Tetrachloro-o-xyleneBenzene, 1,2,3,4-tetrachloro-5,6-dimethyl-Benzene, tetrachlorodimethyl-61684-61-5Tetrachlor-o-xylol
Show more names
tretrachloro-o-xyleneTetra-o-xylene chloride1,2,3,4-Tetrachloro-5,6-dimethylbenzene.3,4,5,6-Tetrachloro-o-xylene in isooctane1,2,3,4-Tetrachloro-5,6-Dimethylbenzylene1,2,3,4-Tetrachloro-5,6-Dimethylbenzene 100MG
dimethyltetrachlorobenzeneSCHEMBL1006949SCHEMBL1006950SCHEMBL6753050tetrachloro-1,2-dimethylbenzeneSCHEMBL31831117SCOSFGXUBLANNC-UHFFFAOYSA-N3,4,5,6-tetrachloro-orthoxylene

Database identifiers

CAS
877-08-7

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
143

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point
Physical DescriptionTetrachloro-o-xylene, [solid] appears as a powdered or flaked solid. Insoluble in water. Very strongly irritates skin, eyes or mucous membranes. May be toxic by ingestion.

Physicochemical properties

Melting point
228 °C · 228°C
Boiling point
272.29 °C · 272.29°C (estimate)
Density
1.6545 · 1.6545 (estimate)
refractive index
1.5149 · 1.5149 (estimate)
EPA Substance Registry System
1 · Benzene, 1,2,3,4-tetrachloro-5,6-dimethyl- (877-08-7)
Symbol(GHS)
6 · GHS06,GHS08
Signal word
Danger
Hazard statements
301 · H301-H311-H331-H341
Precautionary statements
201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAryl Halides
Reactivity Profile · 1 item

Simple aromatic halogenated organic compounds, such as TETRACHLORO-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 FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)

Chemistry & industry

Applications

General DescriptionA powdered or flaked solid. Insoluble in water. Very strongly irritates skin, eyes or mucous membranes. May be toxic by ingestion.

Upstream & downstream products

Upstream raw materials

o-XyleneGlass-lined reaction potCarbon tetrachloride

Downstream products

Tetrachlorophthalimide3,4,5,6-Tetrachlorophthalonitrile

Suppliers2 total

上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

4 records
New reaction record
HRID 1391071 reaction equation
HRID 1391071As reactantuspto-grants-1979_02
HRID 1974005 reaction equation
HRID 1974005As reactantuspto-grants-1976_12
HRID 1974006 reaction equation
HRID 1974006As reactantuspto-grants-1976_12
HRID 1974007 reaction equation
HRID 1974007As reactantuspto-grants-1976_12

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
522883
DTXSID
DTXSID601007756
Nikkaji
J31.733K
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

Safety data

Signal word
Danger
Symbol(GHS)
GHS06,GHS08
Hazard statements
H301-H311-H331-H341
Precautionary statements
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501