2,4,6-Trimethylbenzoyl chloride - CAS 938-18-1
Catalog: |
BB041092 |
Product Name: |
2,4,6-Trimethylbenzoyl chloride |
CAS: |
938-18-1 |
Synonyms: |
2,4,6-trimethylbenzoyl chloride |
IUPAC Name: | 2,4,6-trimethylbenzoyl chloride |
Description: | 2,4,6-Trimethylbenzoyl chloride (CAS# 938-18-1) is a useful research chemical. |
Molecular Weight: | 182.65 |
Molecular Formula: | C10H11ClO |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)C(=O)Cl)C |
InChI: | InChI=1S/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3 |
InChI Key: | UKRQMDIFLKHCRO-UHFFFAOYSA-N |
Boiling Point: | 143-146 °C (60 mmHg) |
Purity: | 95 % |
Density: | 1.109 g/cm3 |
Appearance: | Clear light yellow liquid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD00013650 |
LogP: | 2.99080 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22220071 | 20111101 | (3,6-Dimeth-oxy-naphthalen-2-yl)(2,4,6-trimethyl-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
22064621 | 20111001 | (2,7-Dimeth-oxy-naphthalen-1-yl)(2,4,6-trimethyl-phen-yl)methanone | Acta crystallographica. Section E, Structure reports online |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0498427 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0498427 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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