5-Bromo-2-chlorobenzotrifluoride - CAS 445-01-2
Catalog: |
BB025625 |
Product Name: |
5-Bromo-2-chlorobenzotrifluoride |
CAS: |
445-01-2 |
Synonyms: |
4-bromo-1-chloro-2-(trifluoromethyl)benzene |
IUPAC Name: | 4-bromo-1-chloro-2-(trifluoromethyl)benzene |
Description: | 5-Bromo-2-chlorobenzotrifluoride (CAS# 445-01-2) is a useful research chemical. |
Molecular Weight: | 259.45 |
Molecular Formula: | C7H3BrClF3 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(F)(F)F)Cl |
InChI: | InChI=1S/C7H3BrClF3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H |
InChI Key: | XGOCKBMEZPNDPJ-UHFFFAOYSA-N |
Boiling Point: | 76-81 °C (11 mmHg) |
Purity: | 98 % |
Density: | 1.745 g/cm3 |
Appearance: | Clear pale yellow liquid |
MDL: | MFCD00000601 |
LogP: | 4.12130 |
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 |
CN-112979448-A | Preparation method of high-selectivity 5-bromo-2-chlorobenzoic acid | 20210301 |
WO-2021099803-A1 | Compounds for use in the treatment of acute intermittent porphyria | 20191121 |
WO-2021036683-A1 | Aromatic amine compound, coating layer material and light emitting element | 20190827 |
CN-113260605-A | Aromatic amine compound, cover material and light-emitting element | 20190827 |
WO-2020104494-A1 | New heterocyclic compounds | 20181122 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.90587 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.90587 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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