Basic information
- CAS
1236270-06-6- Standard SMILES
O=C1CCC2(C(=O)O)Sc3ccc(Cl)cc3N12- InChIKey
BXUSSTYMXIMALU-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO3S
- Average molar mass
- 269.7 g/mol
- Monoisotopic mass
- 268.991342
Names & identifiers
- Preferred name
- 11-Chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0,2,6]dodeca-1(12),8,10-triene-6-carboxylic acid
- IUPAC
- 7-chloro-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid
- English name
- 11-chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0,2,6]dodeca-1(12),8,10-triene-6-carboxylic acid
- Molecular formula
- C11H8ClNO3S
- Molecular weight
- 269.7
Names & synonyms
1236270-06-611-chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0,2,6]dodeca-1(12),8,10-triene-6-carboxylic acid11-chloro-3-oxo-7-thia-2-azatricyclo(6.4.0.0,2,6)dodeca-1(12),8,10-triene-6-carboxylic acidRefChem:437229102-468-211-chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0^{2,6}]dodeca-1(8),9,11-triene-6-carboxylic acid7-chloro-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid7-Chloro-2,3-dihydro-1-oxopyrrolo[2,1-b]benzothiazole-3a(1H)-carboxylic acidLZB27006AKOS033199674NCGC01445545-01CS-0251620
Show more names
Pyrrolo[2,1-b]benzothiazole-3a(1H)-carboxylic acid, 7-chloro-2,3-dihydro-1-oxo-
EN300-55397G19943Z8357877447-CHLORO-1-OXO-2,3-DIHYDROBENZO[D]PYRROLO[2,1-B]THIAZOLE-3A(1H)-CARBOXYLIC ACID11-Chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0(2,6)]dodeca-1(8),9,11-triene-6-carboxylic acid11-chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0,2,6]dodeca-1(12),8,10-triene-6-carboxylicacid11-chloro-3-oxo-7-thia-2-azatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-triene-6-carboxylic acid
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 533 · 533.0±50.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- 1.87 · 1.87±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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