3-(Chloromethyl)benzamide - CAS 135654-16-9
Catalog: |
BB008233 |
Product Name: |
3-(Chloromethyl)benzamide |
CAS: |
135654-16-9 |
Synonyms: |
3-(chloromethyl)benzamide; 3-(chloromethyl)benzamide |
IUPAC Name: | 3-(chloromethyl)benzamide |
Description: | 3-(Chloromethyl)benzamide (CAS# 135654-16-9) is a useful research chemical. |
Molecular Weight: | 169.61 |
Molecular Formula: | C8H8ClNO |
Canonical SMILES: | C1=CC(=CC(=C1)CCl)C(=O)N |
InChI: | InChI=1S/C8H8ClNO/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H2,10,11) |
InChI Key: | OOYATKQQGVPYQR-UHFFFAOYSA-N |
Boiling Point: | 311.6 °C at 760 mmHg |
Density: | 1.248 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00175948 |
LogP: | 2.22460 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102085758-B1 | A novel compound for inhibiting histone acetyltransferase p300 and antifibrotic composition comprising the same | 20190805 |
WO-2021025448-A1 | Novel compound for inhibiting histone acetyltransferase p300 and antifibrotic composition comprising same | 20190805 |
KR-20210016856-A | A novel compound for inhibiting histone acetyltransferase p300 and antifibrotic composition comprising the same | 20190805 |
WO-2021025447-A1 | Novel compound for inhibiting histone acetyltransferase p300 and anti-fibrosis composition comprising same | 20190805 |
KR-102243465-B1 | A novel compound for inhibiting histone acetyltransferase p300 and antifibrotic composition comprising the same | 20190805 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0294416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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