4-(2,2-Difluoroethoxy)-2-methylaniline hydrochloride - CAS 1431965-01-3
Catalog: |
BB052545 |
Product Name: |
4-(2,2-Difluoroethoxy)-2-methylaniline hydrochloride |
CAS: |
1431965-01-3 |
Synonyms: |
[4-(2,2-Difluoroethoxy)-2-methylphenyl]aminehydrochloride |
IUPAC Name: | 4-(2,2-difluoroethoxy)-2-methylaniline;hydrochloride |
Molecular Weight: | 223.65 |
Molecular Formula: | C9H12ClF2NO |
Canonical SMILES: | CC1=C(C=CC(=C1)OCC(F)F)N.Cl |
InChI: | InChI=1S/C9H11F2NO.ClH/c1-6-4-7(2-3-8(6)12)13-5-9(10)11;/h2-4,9H,5,12H2,1H3;1H |
InChI Key: | VREAQECTBMOQLW-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.057548 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.057548 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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