4-Chloro-2-fluoro-5-nitrotoluene - CAS 18349-11-6
Catalog: |
BB014061 |
Product Name: |
4-Chloro-2-fluoro-5-nitrotoluene |
CAS: |
18349-11-6 |
Synonyms: |
1-chloro-5-fluoro-4-methyl-2-nitrobenzene |
IUPAC Name: | 1-chloro-5-fluoro-4-methyl-2-nitrobenzene |
Description: | 4-Chloro-2-fluoro-5-nitrotoluene (CAS# 18349-11-6) is a useful research chemical. |
Molecular Weight: | 189.57 |
Molecular Formula: | C7H5ClFNO2 |
Canonical SMILES: | CC1=CC(=C(C=C1F)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3 |
InChI Key: | SJDPAVRCQNFVDM-UHFFFAOYSA-N |
Boiling Point: | 264.3 °C at 760 mmHg |
Density: | 1.417 g/cm3 |
MDL: | MFCD00134231 |
LogP: | 3.21890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020147838-A1 | Salt of egfr inhibitor, crystal form, and preparation method therefor | 20190118 |
CN-113260613-A | Salts and crystal forms of EGFR inhibitor and preparation method thereof | 20190118 |
WO-2020035825-A1 | N'-(4-(benzylamino)-phenyl)-n-ethyl-n-methylformimidamide derivatives and related compounds for protecting agricultural crops against phytopathogenic microorganisms | 20180817 |
AU-2018228114-A1 | AGENT ENHANCING ANTITUMOR EFFECT USING PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND | 20170228 |
EP-3590516-A1 | Antitumor-effect enhancer using pyrazolo[3,4-d]pyrimidine compound | 20170228 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.9992843 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.9992843 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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