Basic information
- CAS
16582-59-5- Standard SMILES
Nc1nc2c(Cl)cc(Cl)cc2s1- InChIKey
UZGRZSHGRZYCQV-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2N2S
- Average molar mass
- 219.09 g/mol
- Monoisotopic mass
- 217.9472247
Names & identifiers
- Preferred name
- 2-Benzothiazolamine, dichloro-
- IUPAC
- 4,6-dichloro-1,3-benzothiazol-2-amine
- English name
- 2-Amino-4,6-dichlorobenzothiazole
- Molecular formula
- C7H4Cl2N2S
- Molecular weight
- 219.09
Names & synonyms
2-Benzothiazolamine, dichloro-EINECS 263-216-6RefChem:4655632-Amino-4,6-dichlorobenzothiazole16582-59-54,6-dichloro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 4,6-dichloro-4,6-DICHLOROBENZO[D]THIAZOL-2-AMINE61792-25-4MFCD011230024,6-dichloro-1,3-benzothiazol-2-ylamineF1911-0020
Show more names
2-Amino-4,6-dichlor-benzothiazol2-Benzothiazolamine,4,6-dichloro-(9CI)(4,6-dichloro-1,3-benzothiazol-2-yl)amine4,6-dichloro-1,3-benzothiazol-2-amine(SALTDATA: FREE)
Oprea1_708389MLS000678668SCHEMBL6718517CHEMBL1585195DTXSID50937130HMS2740G21SMSSF-0044193NSC-14671
Database identifiers
- CAS
16582-59-5、61792-25-4- PubChem CID
- 112722
- DTXSID
DTXSID50937130- ChEMBL
CHEMBL1585195- EC Number
- 263-216-6
- Nikkaji
- J62.493D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Solubility7.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 253 · 253-255 °C
- Boiling point
- 376.7 · 376.7±45.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.5 · 1.50±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 29342000 · 29342000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29342000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Benzothiazolamine, dichloro-: INACTIVE
Applications
Uses2-Amino-4,6-dichlorobenzothiazole is used as a reactant in the preparation of substituted 2-benzothiazolamines as sodium flux inhibitors for anticonvulsant activity.
Related reactions
5 records
Compound notes
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