Basic information
- CAS
1323966-31-9- Standard SMILES
CCOc1c(Cl)ccc(N)c1F- InChIKey
FVVBUBBCVRLCSJ-UHFFFAOYSA-N- Molecular formula
- C8H9ClFNO
- Average molar mass
- 189.61 g/mol
- Monoisotopic mass
- 189.0356698
Names & identifiers
- Preferred name
- 4-Chloro-3-ethoxy-2-fluoroaniline
- IUPAC
- 4-chloro-3-ethoxy-2-fluoroaniline
- English name
- 4-Chloro-3-ethoxy-2-fluoroaniline, 97%
- Molecular formula
- C8H9ClFNO
- Molecular weight
- 189.61
Names & synonyms
4-chloro-3-ethoxy-2-fluoroaniline1323966-31-9MFCD19687218DTXSID201275189AKOS015957203JS-5001Benzenamine, 4-chloro-3-ethoxy-2-fluoro-CS-03245394-Chloro-3-ethoxy-2-fluoroaniline, 97%
Database identifiers
- CAS
1323966-31-9- PubChem CID
- 66523596
- DTXSID
DTXSID201275189
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 278 · 278.0±35.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
Chemistry & industry
Suppliers2 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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