4-Fluoro-3-methylbenzonitrile - CAS 185147-08-4
Catalog: |
BB014199 |
Product Name: |
4-Fluoro-3-methylbenzonitrile |
CAS: |
185147-08-4 |
Synonyms: |
4-fluoro-3-methylbenzonitrile; 4-fluoro-3-methylbenzonitrile |
IUPAC Name: | 4-fluoro-3-methylbenzonitrile |
Description: | 4-Fluoro-3-methylbenzonitrile (CAS# 185147-08-4) is a useful research chemical. |
Molecular Weight: | 135.14 |
Molecular Formula: | C8H6FN |
Canonical SMILES: | CC1=C(C=CC(=C1)C#N)F |
InChI: | InChI=1S/C8H6FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3 |
InChI Key: | ZMEAHKIIWJDJFT-UHFFFAOYSA-N |
Boiling Point: | 220.3 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
MDL: | MFCD03788510 |
LogP: | 2.00578 |
GHS Hazard Statement: | H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.048427358 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.048427358 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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