Basic information
- CAS
6284-83-9- Standard SMILES
O=[N+]([O-])c1c(Cl)cc(Cl)c([N+](=O)[O-])c1Cl- InChIKey
BPMOJGOPWSCNHJ-UHFFFAOYSA-N- Molecular formula
- C6HCl3N2O4
- Average molar mass
- 271.4 g/mol
- Monoisotopic mass
- 269.90019
Names & identifiers
- Preferred name
- Benzene, 1,3,5-trichloro-2,4-dinitro-
- IUPAC
- 1,3,5-trichloro-2,4-dinitrobenzene
- English name
- Trichlorodinitrobenzene
- Molecular formula
- C6HCl3N2O4
- Molecular weight
- 271.44
Names & synonyms
1,3,5-Trichloro-2,4-dinitrobenzene6284-83-92,4-Dinitro-1,3,5-trichlorobenzene1,3-Dinitro-2,4,6-trichlorobenzene2,4,6-Trichloro-1,3-dinitrobenzeneBenzene, 1,3,5-trichloro-2,4-dinitro-BENZENE, 2,4-DINITRO-1,3,5-TRICHLORO-NSC 5279EINECS 228-510-0BRN 2145247DTXSID90222393-05-00-00639 (Beilstein Handbook Reference)
Show more names
CHEMAGRO2635
RefChem:562260DTXCID1022391,3Dinitro2,4,6trichlorobenzene2,4,6Trichloro1,3dinitrobenzene2,4Dinitro1,3,5trichlorobenzeneBenzene, 1,3,5trichloro2,4dinitroBenzene, 2,4dinitro1,3,5trichloro228-510-0
Database identifiers
- CAS
6284-83-9、8003-46-1- PubChem CID
- 22696
- DTXSID
DTXSID9022239- UNII
- Z6BDK8L2RZ
- EC Number
- 228-510-0
- Nikkaji
- J54.886C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionWhite solid; [Maybridge MSDS]
Physicochemical properties
- EPA Substance Registry System
- -1 · Trichloro-1,3-dinitrobenzene (8003-46-1)
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
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1,3,5-trichloro-2,4-dinitrobenzene (EC: 228-510-0)
Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] An irritant; Harmful by ingestion, inhalation, and skin absorption; [Maybridge MSDS] See 1-Chloro-2,4-dinitrobenzene.
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3,5-trichloro-2,4-dinitro-: INACTIVE
Suppliers8 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
1 records
Compound notes
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