2'-Chloro-5'-nitroacetophenone - CAS 23082-50-0
Catalog: |
BB017916 |
Product Name: |
2'-Chloro-5'-nitroacetophenone |
CAS: |
23082-50-0 |
Synonyms: |
1-(2-chloro-5-nitrophenyl)ethanone; 1-(2-chloro-5-nitrophenyl)ethanone |
IUPAC Name: | 1-(2-chloro-5-nitrophenyl)ethanone |
Description: | 2'-Chloro-5'-nitroacetophenone (CAS# 23082-50-0) is a useful research chemical. |
Molecular Weight: | 199.59 |
Molecular Formula: | C8H6ClNO3 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C8H6ClNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-4H,1H3 |
InChI Key: | PNXVQYABDFYOFY-UHFFFAOYSA-N |
Boiling Point: | 244.8 °C at 760 mmHg |
Density: | 1.378 g/cm3 |
LogP: | 2.97400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111056994-A | Preparation method of vismodegib | 20181016 |
CN-111056994-B | Preparation method of vismodegib | 20181016 |
CN-107200708-B | Preparation method of vismodegib | 20170527 |
CA-3014314-A1 | Substituted 1,2,3-triazoles as nr2b-selective nmda modulators | 20160210 |
EP-3414233-A1 | Substituted 1,2,3-triazoles as nr2b-selective nmda modulators | 20160210 |
PMID | Publication Date | Title | Journal |
17375954 | 20070413 | One-pot synthesis of substituted 2-aminobenzo[b]thiophenes | The Journal of organic chemistry |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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