Basic information
- CAS
1209937-54-1- Standard SMILES
COc1cc(CC#N)cc(Cl)c1OCC(F)(F)F- InChIKey
DLTQTRXIHHVKSU-UHFFFAOYSA-N- Molecular formula
- C11H9ClF3NO2
- Average molar mass
- 279.64 g/mol
- Monoisotopic mass
- 279.0273907
Names & identifiers
- Preferred name
- 2-[3-Chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
- IUPAC
- 2-[3-chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
- English name
- 2-[3-Chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
- Molecular formula
- C11H9ClF3NO2
- Molecular weight
- 279.64
Names & synonyms
2-[3-chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile1209937-54-1JYB93754AKOS034563768EN300-51859G57136Z730610820Benzeneacetonitrile, 3-chloro-5-methoxy-4-(2,2,2-trifluoroethoxy)-
Database identifiers
- CAS
1209937-54-1- PubChem CID
- 45830010
- EC Number
- 155-101-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- 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, P317, 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
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
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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