2-Bromo-5-(trifluoromethyl)benzaldehyde - CAS 102684-91-3
Catalog: |
BB000915 |
Product Name: |
2-Bromo-5-(trifluoromethyl)benzaldehyde |
CAS: |
102684-91-3 |
Synonyms: |
Benzaldehyde, 2-bromo-5-(trifluoromethyl)-; 6-Bromo-α,α,α-trifluoro-m-tolualdehyde; 4-Bromo-3-formylbenzotrifluoride |
IUPAC Name: | 2-bromo-5-(trifluoromethyl)benzaldehyde |
Molecular Weight: | 253.02 |
Molecular Formula: | C8H4BrF3O |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C=O)Br |
InChI: | InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H |
InChI Key: | CSOBJYGHQOLWOD-UHFFFAOYSA-N |
Boiling Point: | 239.1±35.0°C at 760 mmHg |
Purity: | 95% |
Density: | 1.677±0.06 g/cm3 |
Appearance: | Colorless to Light Yellow to Light Orange Clear Liquid |
Storage: | Store at 2-8°C under inert gas (nitrogen or Argon) |
MDL: | MFCD04973760 |
LogP: | 3.28040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.93976 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.93976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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