Basic information
- CAS
331-54-4- Standard SMILES
FC(F)CNc1cccc(Cl)c1- InChIKey
QSLIBRQKKASYQF-UHFFFAOYSA-N- Molecular formula
- C8H8ClF2N
- Average molar mass
- 191.6 g/mol
- Monoisotopic mass
- 191.0313333
Names & identifiers
- Preferred name
- Aniline, m-chloro-N-(2,2-difluoroethyl)-
- IUPAC
- 3-chloro-N-(2,2-difluoroethyl)aniline
Names & synonyms
331-54-4ANILINE, m-CHLORO-N-(2,2-DIFLUOROETHYL)-m-Chloro-N-(2,2-difluoroethyl)anilineBRN 3249275DTXSID501867674-12-00-01139 (Beilstein Handbook Reference)RefChem:319625DTXCID901092583-chloro-N-(2,2-difluoroethyl)anilineorb1986523QSLIBRQKKASYQF-UHFFFAOYSA-NAAA33154
Show more names
AKOS010145638CS-0230431EN300-103870G54772T30064Z608352346
Database identifiers
- CAS
331-54-4- PubChem CID
- 9510
- DTXSID
DTXSID50186767- EC Number
- 172-887-3
- Nikkaji
- J55.207K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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