Methyl (4-chloro-3-trifluoromethylphenyl)carbamate
Basic information
- CAS
19448-54-5- Standard SMILES
COC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1- InChIKey
XWQBHJDKCQIWFE-UHFFFAOYSA-N- Molecular formula
- C9H7ClF3NO2
- Average molar mass
- 253.6 g/mol
- Monoisotopic mass
- 253.0117406
Names & identifiers
- Preferred name
- Methyl (4-chloro-3-trifluoromethylphenyl)carbamate
- IUPAC
- methyl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
- English name
- Methyl (4-chloro-3-trifluoromethylphenyl)carbamate
- Molecular formula
- C9H7ClF3NO2
- Molecular weight
- 253.61
Names & synonyms
19448-54-5Methyl (4-chloro-3-trifluoromethylphenyl)carbamateTTL2HQQ7DQRefChem:1089200Methyl (4-chloro-3-(trifluoromethyl)phenyl)carbamateMETHYL N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMATERegorafenib Impurity DMFCD08724242Carbamic acid, N-[4-chloro-3-(trifluoromethyl)phenyl]-, methyl esterRegorafenib Impurity 5methyl [4-chloro-3-(trifluoromethyl)phenyl]carbamateRegorafenib impurity 01
Show more names
Methyl-N-(3-trifluoromethyl-4-chlorophenyl)carbamateMethyl (4-chloro-3-trifluoromethylphenyl)carbamate 4-
SCHEMBL2096592SCHEMBL2096593XWQBHJDKCQIWFE-UHFFFAOYSA-NSTK485586AKOS003396051BS-49058ST50841299E84378
Database identifiers
- CAS
19448-54-5- PubChem CID
- 15514404
- UNII
- TTL2HQQ7DQ
- Nikkaji
- J1.390.016G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 89 · 89-90 °C
- Boiling point
- 233.4 · 233.4±40.0 °C(Predicted)
- Density
- 1.454 · 1.454±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 12.44 · 12.44±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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