Basic information
- CAS
29508-47-2- Standard SMILES
Cc1cnn(C)[n+]1N=Nc1ccc(N(C)Cc2ccccc2)cc1.[Cl-]- InChIKey
VAHZZJOEFIYVCL-UHFFFAOYSA-M- Molecular formula
- C18H21N6.Cl
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1516224
Names & identifiers
- Preferred name
- 4H-1,2,4-Triazolium, 1,4-dimethyl-5-(2-(4-(methyl(phenylmethyl)amino)phenyl)diazenyl)-, chloride (1:1)
- IUPAC
- N-benzyl-4-[(2,5-dimethyltriazol-1-ium-1-yl)diazenyl]-N-methylaniline chloride
- English name
- 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride
- Molecular formula
- C18H23ClN6
- Molecular weight
- 358.86842
Names & synonyms
29508-47-21H-1,2,4-Triazolium, 1,4-dimethyl-5-((4-(methyl(phenylmethyl)amino)phenyl)azo)-, chlorideDTXSID70904364EINECS 249-670-84H-1,2,4-Triazolium, 1,4-dimethyl-5-(2-(4-(methyl(phenylmethyl)amino)phenyl)diazenyl)-, chloride (1:1)1H-1,2,4-Triazolium, 1,4-dimethyl-5-[[4-[methyl(phenylmethyl)amino]phenyl]azo]-, chloride4H-1,2,4-Triazolium, 1,4-dimethyl-5-[2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, chloride (1:1)RefChem:527287DTXCID201333521N-benzyl-4-[(2,5-dimethyltriazol-1-ium-1-yl)diazenyl]-N-methylaniline;chlorideVAHZZJOEFIYVCL-UHFFFAOYSA-M5-((p-(Benzylmethylamino)phenyl)azo)-1,4-dimethyl-1H-1,2,4-triazolium chloride
Show more names
Basic Red 46, 400%N-benzyl-4-[(2,5-dimethyltriazol-1-ium-1-yl)diazenyl]-N-methylaniline,chloride5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride1H-1,2,4-Triazolium,1,4-dimethyl-5-[[4-[methyl(phenylmethyl)amino]phenyl]azo]-,chloride
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 474.08 ℃[at · 474.08℃[at 101 325 Pa]
- Density
- 1.22 · 1.22[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 67.75 mg/L · 67.75mg/L at 25℃
- LogP
- 1.742 · 1.742
- EPA Substance Registry System
- 1 H-1,2,4-Triazolium, · 1H-1,2,4-Triazolium, 1,4-dimethyl-5-[[4-[methyl(phenylmethyl)amino]phenyl]azo]-, chloride (29508-47-2)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318-H412
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P501-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 63.2% (12 of 19) of all reports.
Danger
H302 (26.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 19 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-1,2,4-Triazolium, 1,4-dimethyl-5-[[4-[methyl(phenylmethyl)amino]phenyl]azo]-, chloride
REACH registered substance: 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (EC: 249-670-8)
Hazard Classes and CategoriesAcute Tox. 4 (26.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H302-H318-H412
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4H-1,2,4-Triazolium, 1,4-dimethyl-5-[2-[4-[methyl(phenylmethyl)amino]phenyl]diazenyl]-, chloride (1:1): ACTIVE
Suppliers4 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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