2-Chloro-3-(trifluoromethyl)benzaldehyde - CAS 93118-03-7
Catalog: |
BB040781 |
Product Name: |
2-Chloro-3-(trifluoromethyl)benzaldehyde |
CAS: |
93118-03-7 |
Synonyms: |
2-chloro-3-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 2-chloro-3-(trifluoromethyl)benzaldehyde |
Description: | 2-Chloro-3-(trifluoromethyl)benzaldehyde (CAS# 93118-03-7) is a useful research chemical. |
Molecular Weight: | 208.56 |
Molecular Formula: | C8H4ClF3O |
Canonical SMILES: | C1=CC(=C(C(=C1)C(F)(F)F)Cl)C=O |
InChI: | InChI=1S/C8H4ClF3O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H |
InChI Key: | KUNCMOAFNYLOSC-UHFFFAOYSA-N |
Boiling Point: | 216.6 °C at 760 mmHg |
Melting Point: | 37-43 °C |
Purity: | 98 % |
Density: | 1.423 g/cm3 |
MDL: | MFCD00792414 |
LogP: | 3.17130 |
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 |
Publication Number | Title | Priority Date |
WO-2021022061-A1 | Aryl hydrocarbon receptor activators | 20190730 |
WO-2021000933-A1 | Pyrimidinone compounds as chymase inhibitors and application thereof | 20190703 |
WO-2017156181-A1 | 3-phosphoglycerate dehydrogenase inhibitors and uses thereof | 20160309 |
AU-2016250265-A1 | (S)-2'-vinyl-abscisic acid derivatives | 20150415 |
CA-2981080-A1 | (s)-2'-vinyl-abscisic acid derivatives | 20150415 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9902769 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9902769 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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