4-Bromo-3-chlorobenzotrifluoride - CAS 402-04-0
Catalog: |
BB024366 |
Product Name: |
4-Bromo-3-chlorobenzotrifluoride |
CAS: |
402-04-0 |
Synonyms: |
1-bromo-2-chloro-4-(trifluoromethyl)benzene; 1-bromo-2-chloro-4-(trifluoromethyl)benzene |
IUPAC Name: | 1-bromo-2-chloro-4-(trifluoromethyl)benzene |
Description: | 4-Bromo-3-chlorobenzotrifluoride (CAS# 402-04-0) is a useful research chemical. |
Molecular Weight: | 259.45 |
Molecular Formula: | C7H3BrClF3 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)Cl)Br |
InChI: | InChI=1S/C7H3BrClF3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H |
InChI Key: | RVTIHGGJJMXISV-UHFFFAOYSA-N |
Boiling Point: | 211.3 ℃ at 760 mmHg |
Density: | 1.717 g/cm3 |
MDL: | MFCD00673985 |
LogP: | 4.12130 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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 |
US-2020308190-A1 | Heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
US-2021277020-A1 | Heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
TW-201927782-A | a diaryl substituted 6,5-fused ring compound as a C5aR inhibitor | 20171222 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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