3-Chloro-6-(trifluoromethyl)isoquinoline - CAS 1357945-78-8
Catalog: |
BB008248 |
Product Name: |
3-Chloro-6-(trifluoromethyl)isoquinoline |
CAS: |
1357945-78-8 |
Synonyms: |
3-chloro-6-(trifluoromethyl)isoquinoline; 3-chloro-6-(trifluoromethyl)isoquinoline |
IUPAC Name: | 3-chloro-6-(trifluoromethyl)isoquinoline |
Description: | 3-Chloro-6-(trifluoromethyl)isoquinoline (CAS# 1357945-78-8 ) is a useful research chemical. |
Molecular Weight: | 231.60 |
Molecular Formula: | C10H5ClF3N |
Canonical SMILES: | C1=CC2=CN=C(C=C2C=C1C(F)(F)F)Cl |
InChI: | InChI=1S/C10H5ClF3N/c11-9-4-7-3-8(10(12,13)14)2-1-6(7)5-15-9/h1-5H |
InChI Key: | QIWGNTCRYGZUPY-UHFFFAOYSA-N |
LogP: | 3.90700 |
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 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.0062613 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.0062613 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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