4,5-Dichloro-2-methyl-benzothiazole
Basic information
- CAS
40671-25-8- Standard SMILES
Cc1nc2c(Cl)c(Cl)ccc2s1- InChIKey
KHDXWYMBFKGSHM-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NS
- Average molar mass
- 218.1 g/mol
- Monoisotopic mass
- 216.9519757
Names & identifiers
- Preferred name
- 4,5-Dichloro-2-methyl-benzothiazole
- IUPAC
- 4,5-dichloro-2-methyl-1,3-benzothiazole
- English name
- Benzothiazole, 4,5-dichloro-2-methyl- (9CI)
- Molecular formula
- C8H5Cl2NS
- Molecular weight
- 218.1
Names & synonyms
4,5-Dichloro-2-methyl-benzothiazoleRefChem:507667684-293-640671-25-84,5-dichloro-2-methyl-1,3-benzothiazoleBenzothiazole,4,5-dichloro-2-methyl-4,5-Dichloro-2-methylbenzo[d]thiazoleNSC122384SCHEMBL22891112DTXSID30961054HMS1607C08AKOS001483396
Show more names
Benzothiazole, 4,5-dichloro-2-methyl- (9CI)
NSC-122384Benzothiazole, 4,5-dichloro-2-methyl-DB-274812SR-01000389613SR-01000389613-1
Database identifiers
- CAS
40671-25-8- PubChem CID
- 275502
- DTXSID
DTXSID30961054- EC Number
- 684-293-6
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 314.1 · 314.1±22.0 °C(Predicted)
- Density
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- pka
- -0.66 · -0.66±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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