2-(4-Methylphenyl)acetyl Chloride - CAS 35675-44-6
Catalog: |
BB022722 |
Product Name: |
2-(4-Methylphenyl)acetyl Chloride |
CAS: |
35675-44-6 |
Synonyms: |
2-(4-methylphenyl)acetyl chloride; 2-(4-methylphenyl)acetyl chloride |
IUPAC Name: | 2-(4-methylphenyl)acetyl chloride |
Description: | 2-(4-Methylphenyl)acetyl Chloride (CAS# 35675-44-6) is a useful chemical for organic reactions, and the synthesis of various compounds. |
Molecular Weight: | 168.62 |
Molecular Formula: | C9H9ClO |
Canonical SMILES: | CC1=CC=C(C=C1)CC(=O)Cl |
InChI: | InChI=1S/C9H9ClO/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3 |
InChI Key: | QDZAWVLWIMOXJT-UHFFFAOYSA-N |
Boiling Point: | 240 °C at 760 mmHg |
Density: | 1.146 g/cm3 |
LogP: | 2.30290 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (33.33%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318 (66.67%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (33.33%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112390751-A | Toll-like receptor-7 small molecule inhibitor and preparation method thereof | 20201105 |
WO-2021127337-A1 | Trpml modulators | 20191219 |
CN-112979675-A | Small-molecule sulfur-containing heterocyclic compound | 20191212 |
WO-2021115495-A1 | Small-molecule sulfur-containing heterocyclic compound | 20191212 |
WO-2021099842-A1 | Pentafluorobenzenesulfonamide derivatives and uses thereof | 20191122 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0341926 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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