1,3,5-Triazine, 2-methyl-4,6-bis(trichloromethyl)-
Basic information
- CAS
949-42-8- Standard SMILES
Cc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
LETDRANQSOEVCX-UHFFFAOYSA-N- Molecular formula
- C6H3Cl6N3
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 326.845813
Names & identifiers
- Preferred name
- 1,3,5-Triazine, 2-methyl-4,6-bis(trichloromethyl)-
- IUPAC
- 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
- English name
- 2,4-BIS(TRICHLOROMETHYL)-6-METHYL-1,3,5-TRIAZINE
- Molecular formula
- C6H3Cl6N3
- Molecular weight
- 329.83
Names & synonyms
949-42-82-Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine1,3,5-Triazine, 2-methyl-4,6-bis(trichloromethyl)-EINECS 213-440-5NSC 409354DTXSID80613452,4-Trichloromethyl-6-methyl-S-triazineRefChem:72307DTXCID8048943213-440-5LETDRANQSOEVCX-UHFFFAOYSA-N2,4-BIS(TRICHLOROMETHYL)-6-METHYL-1,3,5-TRIAZINE
Show more names
2,4-BIS[TRICHL2 - Methyl 4,6 Bis Trichloromethyl S Triazine2,4-BIS(TRICHLORMETHYL)-6-METHYL-1,3,5-TRIAZIN5-triazine,2-methyl-4,6-bis(trichloromethyl)-3Methyl-4,6-bis(trichloromethyl)-1,3,5-triazine4-Methyl-2,6-di(trichloromethyl)-1,3,5-triazine2,4-BIS[TRICHLORMETHYL]-6-METHYL-1,3,5-TRIAZINE2,4-Bis(trichlorometnyl)-6-methyl-1,3,5-trizine3,5-Triazine,2-methyl-4,6-bis(trichloromethyl)-1
MFCD000231782,4-bis(trichlormethyl)6-methyl1,3,5-triazines-Triazine, 2-methyl-4,6-bis(trichloromethyl)-NSC-409354C6H3Cl6N3NSC409354NL6H333KRFSCHEMBL80986
Database identifiers
- CAS
949-42-8- PubChem CID
- 13703
- DTXSID
DTXSID8061345- ChEMBL
CHEMBL2286882- UNII
- NL6H333KRF
- EC Number
- 213-440-5
- Nikkaji
- J130.863G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
LogP4.1
Physicochemical properties
- Melting point
- 94 to · 94.0 to 98.0 °C
- storage temp.
- 0 · Store at 0-8 °C
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C6H3Cl6N3/c1-2-13-3(5(7,8)9)15-4(14-2)6(10,11)12/h1H3
- InChIKey
- LETDRANQSOEVCX-UHFFFAOYSA-N
- SMILES
- N1=C(C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N=C1C
- FDA UNII
- 6 H333KRF · NL6H333KRF
- EPA Substance Registry System
- 1 · 1,3,5-Triazine, 2-methyl-4,6-bis(trichloromethyl)- (949-42-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
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
This chemical does not meet GHS hazard criteria for 14.9% (7 of 47) of reports.
Warning
H302 (80.9%): 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 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (80.9%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2933.69.6050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3,5-Triazine, 2-methyl-4,6-bis(trichloromethyl)-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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