2-Chloro-1-nitro-4-(trifluoromethyl)benzene - CAS 402-11-9
Catalog: |
BB024373 |
Product Name: |
2-Chloro-1-nitro-4-(trifluoromethyl)benzene |
CAS: |
402-11-9 |
Synonyms: |
2-chloro-1-nitro-4-(trifluoromethyl)benzene |
IUPAC Name: | 2-chloro-1-nitro-4-(trifluoromethyl)benzene |
Description: | 2-Chloro-1-nitro-4-(trifluoromethyl)benzene (CAS# 402-11-9) is a useful research chemical. |
Molecular Weight: | 225.55 |
Molecular Formula: | C7H3ClF3NO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H3ClF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H |
InChI Key: | CZWWSPDHNLAYRJ-UHFFFAOYSA-N |
Boiling Point: | 237.2 ℃ at 760 mmHg |
Density: | 1.537 g/cm3 |
MDL: | MFCD00272564 |
LogP: | 3.79020 |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (16.67%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (16.67%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021193756-A1 | Novel benzimidazole derivative | 20200325 |
WO-2020227484-A1 | Substituted benzimidazolone compounds | 20190509 |
WO-2020216378-A1 | Heterocyclic compound, application thereof, and composition containing same | 20190426 |
CN-111848598-A | Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound | 20190426 |
WO-2020069625-A1 | Transcription factor brn2 inhibitory compounds as therapeutics and methods for their use | 20181003 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9804405 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9804405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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