3-Bromo-4-iodobenzotrifluoride - CAS 481075-58-5
Catalog: |
BB026493 |
Product Name: |
3-Bromo-4-iodobenzotrifluoride |
CAS: |
481075-58-5 |
Synonyms: |
2-bromo-1-iodo-4-(trifluoromethyl)benzene; 2-bromo-1-iodo-4-(trifluoromethyl)benzene |
IUPAC Name: | 2-bromo-1-iodo-4-(trifluoromethyl)benzene |
Description: | 3-Bromo-4-iodobenzotrifluoride (CAS# 481075-58-5) is a useful research chemical. |
Molecular Weight: | 350.90 |
Molecular Formula: | C7H3BrF3I |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)Br)I |
InChI: | InChI=1S/C7H3BrF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H |
InChI Key: | LFHYCNXVEWPYAB-UHFFFAOYSA-N |
Boiling Point: | 236.9 °C at 760 mmHg |
Density: | 2.176 g/cm3 |
LogP: | 4.07250 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112079859-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 20200924 |
CN-112409223-A | Amide compounds and medical application thereof as STING inhibitor | 20191012 |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
WO-2019234075-A1 | Novel benzimidamides compounds comprising an oxaborinin ring | 20180607 |
CN-112236433-A | Novel compounds | 20180607 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 349.84149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 349.84149 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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