2-Nitro-4-(trifluoromethyl)phenol - CAS 400-99-7
Catalog: |
BB024308 |
Product Name: |
2-Nitro-4-(trifluoromethyl)phenol |
CAS: |
400-99-7 |
Synonyms: |
2-nitro-4-(trifluoromethyl)phenol |
IUPAC Name: | 2-nitro-4-(trifluoromethyl)phenol |
Description: | 2-Nitro-4-(trifluoromethyl)phenol (CAS# 400-99-7) is used in the synthetic preparation of many useful biological compounds such as non-nucleoside inhibitors of HIV-1 reverse transcriptase. |
Molecular Weight: | 207.11 |
Molecular Formula: | C7H4F3NO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O |
InChI: | InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H |
InChI Key: | XZEDEVRSUANQEM-UHFFFAOYSA-N |
Boiling Point: | 92-94 ℃ (12 mmHg) |
Purity: | 97 % |
Density: | 1.473 g/cm3 |
Appearance: | Clear, liquid |
MDL: | MFCD00009791 |
LogP: | 2.84240 |
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 |
WO-2020245213-A1 | Hect e3 ligase inhibitors and uses thereof | 20190603 |
US-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
TW-202104211-A | Hmox1 inducers | 20190412 |
AU-2018273866-A1 | Glucuronide prodrugs of Janus kinase inhibitors | 20170523 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.01432748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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