4-(Dimethylamino)benzoyl chloride - CAS 4755-50-4
Catalog: |
BB026340 |
Product Name: |
4-(Dimethylamino)benzoyl chloride |
CAS: |
4755-50-4 |
Synonyms: |
4-(dimethylamino)benzoyl chloride |
IUPAC Name: | 4-(dimethylamino)benzoyl chloride |
Description: | 4-(Dimethylamino)benzoyl chloride (CAS# 4755-50-4) is a useful research chemical. |
Molecular Weight: | 183.63 |
Molecular Formula: | C9H10ClNO |
Canonical SMILES: | CN(C)C1=CC=C(C=C1)C(=O)Cl |
InChI: | InChI=1S/C9H10ClNO/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3 |
InChI Key: | UGJDXRVQCYBXAJ-UHFFFAOYSA-N |
Boiling Point: | 292.2 ℃ at 760 mmHg |
Density: | 1.209 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00236039 |
LogP: | 2.13160 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, 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 |
CN-112521295-B | Long-acting low-addiction compound and preparation method thereof | 20200831 |
WO-2021212039-A1 | Inhibitors of cysteine proteases and methods of use thereof | 20200417 |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
DE-102019217963-A1 | Polymeric surface-active ingredients and detergents and cleaning agents containing them | 20191121 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0450916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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