Basic information
- CAS
16628-24-3- Standard SMILES
CC(=O)Nc1nc2ccc(Cl)cc2s1- InChIKey
BCQXILHHRAEBLY-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2OS
- Average molar mass
- 226.68 g/mol
- Monoisotopic mass
- 225.9967617
Names & identifiers
- Preferred name
- N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
- IUPAC
- N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
- English name
- N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
- Molecular formula
- C9H7ClN2OS
- Molecular weight
- 226.68
Names & synonyms
N-(6-chloro-1,3-benzothiazol-2-yl)acetamide16628-24-3RefChem:828223858-008-2N-(5-Chloranyl-1,3-Benzothiazol-2-Yl)ethanamideCHEMBL4556783SCHEMBL11279344BDBM350118RAA62824STK323767AKOS000459328EBC-610742
Show more names
N-(6-chlorobenzo[d]thiazol-2-yl)acetamideAcetamide, N-(6-chloro-2-benzothiazolyl)-
HR-0349N-(6-chlorobenzothiazol-2-yl)acetamideST063157CS-0231660N-(6- chlorobenzo[d]thiazol-2- yl)acetamideEN300-109307G41898SR-01000367331
Database identifiers
- CAS
16628-24-3- PubChem CID
- 959639
- ChEMBL
CHEMBL4556783- EC Number
- 858-008-2
- Nikkaji
- J3.380.152A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 226 · 226-227 °C
- Density
- 1.498 · 1.498±0.06 g/cm3(Predicted)
- pka
- 10.29 · 10.29±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-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
Suppliers5 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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