Basic information
- CAS
1039884-88-2- Standard SMILES
Nc1nc2c(OCC(F)(F)F)cccc2s1- InChIKey
MWKAAIQKVGOALA-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2OS
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.02311851
Names & identifiers
- Preferred name
- 4-(2,2,2-Trifluoroethoxy)-1,3-benzothiazol-2-amine
- IUPAC
- 4-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine
- English name
- 2-Benzothiazolamine, 4-(2,2,2-trifluoroethoxy)-
- Molecular formula
- C9H7F3N2OS
- Molecular weight
- 248.22
Names & synonyms
4-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-amine1039884-88-2RefChem:510586872-735-2PRB88488AKOS009251894CS-0258370EN300-69904Z19344004912-Benzothiazolamine, 4-(2,2,2-trifluoroethoxy)-
Database identifiers
- CAS
1039884-88-2- PubChem CID
- 28941925
- EC Number
- 872-735-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 334.8 · 334.8±52.0 °C(Predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- pka
- 3.28 · 3.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H335-H315-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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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