2-Chloro-5-(trifluoromethyl)benzonitrile - CAS 328-87-0
Catalog: |
BB021459 |
Product Name: |
2-Chloro-5-(trifluoromethyl)benzonitrile |
CAS: |
328-87-0 |
Synonyms: |
2-chloro-5-(trifluoromethyl)benzonitrile |
IUPAC Name: | 2-chloro-5-(trifluoromethyl)benzonitrile |
Description: | 4-Chloro-3-cyanobenzotrifluoride (CAS# 328-87-0) can be used to produce a thermal coupler control system in water supply systems. |
Molecular Weight: | 205.56 |
Molecular Formula: | C8H3ClF3N |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C#N)Cl |
InChI: | InChI=1S/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H |
InChI Key: | LCISFYAQKHOWBP-UHFFFAOYSA-N |
Boiling Point: | 210-212 ℃ |
Melting Point: | 38-42 ℃ |
Purity: | 95 % |
Density: | 1.481 g/cm3 |
Appearance: | White crystalline chunks |
MDL: | MFCD00019742 |
LogP: | 3.23048 |
GHS Hazard Statement: | H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]; H311 (10.87%): Toxic in contact with skin [Danger Acute toxicity, dermal]; H315 (95.65%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (95.65%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9906113 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9906113 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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