4-Chloro-3-methyl-6-nitrophenol - CAS 7147-89-9
Catalog: |
BB034389 |
Product Name: |
4-Chloro-3-methyl-6-nitrophenol |
CAS: |
7147-89-9 |
Synonyms: |
4-chloro-5-methyl-2-nitrophenol |
IUPAC Name: | 4-chloro-5-methyl-2-nitrophenol |
Description: | 4-Chloro-3-methyl-6-nitrophenol (CAS# 7147-89-9) is a useful research chemical compound. |
Molecular Weight: | 187.58 |
Molecular Formula: | C7H6ClNO3 |
Canonical SMILES: | CC1=CC(=C(C=C1Cl)[N+](=O)[O-])O |
InChI: | InChI=1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3 |
InChI Key: | JBMGJOKJUYGIJH-UHFFFAOYSA-N |
Boiling Point: | 276.7 ℃ at 760 mmHg |
Melting Point: | 132-134 ℃ (lit.) |
Purity: | 95 % |
Appearance: | Yellow to greenish powder |
LogP: | 2.78540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021069705-A1 | Isoindolinone compounds | 20191009 |
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CN-113166103-A | EGFR inhibitor and application thereof | 20190426 |
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PMID | Publication Date | Title | Journal |
19863995 | 20100101 | Mutagenic activities of a chlorination by-product of butamifos, its structural isomer, and their related compounds | Chemosphere |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0036207 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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