1,3-Bis(trichloromethyl)benzene
Basic information
- CAS
881-99-2- Standard SMILES
ClC(Cl)(Cl)c1cccc(C(Cl)(Cl)Cl)c1- InChIKey
GGZIUXGYCNYNNV-UHFFFAOYSA-N- Molecular formula
- C8H4Cl6
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 309.84441621
Names & identifiers
- Preferred name
- 1,3-Bis(trichloromethyl)benzene
- IUPAC
- 1,3-bis(trichloromethyl)benzene
- English name
- alpha,alpha,alpha,alpha',alpha',alpha'-Hexachloro-m-xylene
- Molecular formula
- C8H4Cl6
- Molecular weight
- 312.84
Names & synonyms
1,3-Bis(trichloromethyl)benzene881-99-2HexachlorometaxylolNSC-41882WH88VBU889DTXSID00236822m-XYLENE, alpha,alpha,alpha,alpha',alpha',alpha'-HEXACHLORO-RefChem:72528DTXCID30159313212-923-8Benzene, 1,3-bis(trichloromethyl)-1,3-Di(trichloromethyl)benzene
Show more names
M-XYLENE HEXACHLORIDE1,3-bis(trichloromethyl)-benzen1,3-bis(trichloromethyl)benzoylalpha,alpha’-hexachloro-m-xylene
alpha,alpha,alpha,alpha',alpha',alpha'-Hexachloro-m-xylenem-Bis(trichlormethyl)benzenem-Bis(trichloromethyl)benzeneNSC 41882WLN: GXGGR CXGGGMFCD00018821.alpha.,.alpha.'-Hexachloro-m-xylenem-Bis(tricholormethyl)benzene
Database identifiers
- CAS
881-99-2- PubChem CID
- 13434
- DTXSID
DTXSID00236822- UNII
- WH88VBU889
- EC Number
- 212-923-8
- Nikkaji
- J91.313H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 41 · 41-42 °C
- Boiling point
- 397.9 °C · 397.9°C (rough estimate)
- Density
- 1.6957 · 1.6957 (rough estimate)
- refractive index
- 1.584 · 1.5840 (estimate)
- Flash point
- 38 °C · 38 °C
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 881 · 881-99-2(CAS DataBase Reference)
- FDA UNII
- 88 VBU889 · WH88VBU889
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-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.
GHS classification
GHS Classification
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- rtecs
- ZE4650000
- ridadr
- 2810
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Applications
UsesALPHA,ALPHA,ALPHA,ALPHA',ALPHA',ALPHA'-HEXACHLORO-M-XYLENE is used as an intermediate in pesticides and pharmaceuticals.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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