tert-Butyl 3-(Chloromethyl)benzoate - CAS 220510-74-7
Catalog: |
BB017323 |
Product Name: |
tert-Butyl 3-(Chloromethyl)benzoate |
CAS: |
220510-74-7 |
Synonyms: |
3-(chloromethyl)benzoic acid tert-butyl ester; tert-butyl 3-(chloromethyl)benzoate |
IUPAC Name: | tert-butyl 3-(chloromethyl)benzoate |
Description: | tert-Butyl 3-(Chloromethyl)benzoate (CAS# 220510-74-7) is a useful research chemical. |
Molecular Weight: | 226.70 |
Molecular Formula: | C12H15ClO2 |
Canonical SMILES: | CC(C)(C)OC(=O)C1=CC(=CC=C1)CCl |
InChI: | InChI=1S/C12H15ClO2/c1-12(2,3)15-11(14)10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3 |
InChI Key: | ZMCMVQWHGXGANS-UHFFFAOYSA-N |
Boiling Point: | 310.9 ℃ at 760 mmHg |
Density: | 1.108 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02180879 |
LogP: | 3.38070 |
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 |
AU-2018361589-A1 | Double-headed protease inhibitor | 20171102 |
WO-2019088270-A1 | Double-headed protease inhibitor | 20171102 |
CN-111542511-A | Double-headed inhibitors of proteolytic enzymes | 20171102 |
EP-3705471-A1 | Double-headed protease inhibitor | 20171102 |
JP-WO2019088270-A1 | Double-headed inhibitor of proteolytic enzyme | 20171102 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.0760574 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.0760574 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS