4-Chloro-2,1,3-benzothiadiazole
Basic information
- CAS
2207-28-5- Standard SMILES
Clc1cccc2nsnc12- InChIKey
IEKBSYUNNVXOCB-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2S
- Average molar mass
- 170.62 g/mol
- Monoisotopic mass
- 169.970547
Names & identifiers
- Preferred name
- 4-Chloro-2,1,3-benzothiadiazole
- IUPAC
- 4-chloro-2,1,3-benzothiadiazole
- English name
- 4-Chlorobenzo[c][1,2,5]thiadiazole
- Molecular formula
- C6H3ClN2S
- Molecular weight
- 170.62
Names & synonyms
2207-28-54-chloro-2,1,3-benzothiadiazoleDTXSID10308221RefChem:98313DTXCID90259348871-336-04-Chlorobenzo[c][1,2,5]thiadiazole2,1,3-Benzothiadiazole, 4-chloro-MFCD17168971NSC202729SCHEMBL108436064-chlorobenz-2,1,3-thiadiazole
Show more names
IEKBSYUNNVXOCB-UHFFFAOYSA-NAKOS005151944NSC 202729NSC-202729AS-61303SY341801CS-0155626D70733
Database identifiers
- CAS
2207-28-5- PubChem CID
- 305689
- DTXSID
DTXSID10308221- EC Number
- 871-336-0
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 55 °C · 55 °C(Solv: ethanol (64-17-5))
- Boiling point
- 248.1 · 248.1±13.0 °C(Predicted)
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -1.02 · -1.02±0.45(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2934999090 · 2934999090
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses4-Chlorobenzo[c][1,2,5]thiadiazole is a heterocyclic building block compound widely used in organic synthesis and scientific research experiments.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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