Basic information
- CAS
18463-85-9- Standard SMILES
CN(C)c1ccc(N=Nc2ccc3ncsc3c2)cc1- InChIKey
RRPLFUWADFBRTK-UHFFFAOYSA-N- Molecular formula
- C15H14N4S
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.09391764
Overview
6-dimethylaminophenylazobenzothiazole is an orange powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 4-(2-(6-Benzothiazolyl)diazenyl)-N,N-dimethylbenzenamine
- IUPAC
- 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline
- English name
- N,N-dimethyl-4-(6-benzothiazolylazo)aniline
- Molecular formula
- C15H14N4S
- Molecular weight
- 282.37
Names & synonyms
N,N-Dimethyl-4-(6-benzothiazolylazo)aniline18463-85-96-Dimethylaminophenylazobenzthiazole6-((p-(Dimethylamino)phenyl)azo)benzothiazole6-(4-dimethylaminophenylazobenzothiazole)DTXSID0075314N,N-Dimethyl-p-(6-benzthiazolylazo)anilineN,N-Dimethyl-4(6'-benzthiazolylazo)aniline4-(6-Benzothiazolylazo)-N,N-dimethylbenzenamineN,N-dimethyl-p-(6-benzothiazolylazo)anilineBENZOTHIAZOLE, 6-((p-(DIMETHYLAMINO)PHENYL)AZO)-RefChem:822474
Show more names
BT-66-DIMETHYLAMINOPHENYLAZOBENZOTHIAZOLE6-[4-(Dimethylamino)phenylazo]benzothiazole6-[(p-Dimethylaminophenyl)azo]benzothiazole6-(PARA-DIMETHYLAMINOPHENYLAZO)-BENZOTHIAZOLE
DTXCID60358674-(2-(6-Benzothiazolyl)diazenyl)-N,N-dimethylbenzenamineBT 6CCRIS 40646-(p-Dimethlaminophenylazo)benzothiazoleBRN 5389277Benzenamine, 4-(6-benzothiazolylazo)-N,N-dimethyl-4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline
Database identifiers
- CAS
18463-85-9- PubChem CID
- 29080
- DTXSID
DTXSID0075314- Nikkaji
- J65.924J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
Physical Description6-dimethylaminophenylazobenzothiazole is an orange powder. (NTP, 1992)
Physicochemical properties
- Boiling point
- 467.592 · 467.592±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.2493 · 1.2493 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- pka
- 3.282 · 3.282±0.10(predicted)
- EPA Substance Registry System
- -4 · N,N-Dimethyl-4-(6-benzothiazolylazo)aniline (18463-85-9)
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
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of SOx and NOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
6-DIMETHYLAMINOPHENYLAZOBENZOTHIAZOLE is an azo compound. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides.
Air and Water ReactionsDust can be explosive when suspended in air at specific concentrations.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Chemistry & industry
Applications
General DescriptionOrange powder.
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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