4-(Aminomethyl)-2,2-difluoro-1,3-benzodioxole - CAS 531508-46-0
Catalog: |
BB028063 |
Product Name: |
4-(Aminomethyl)-2,2-difluoro-1,3-benzodioxole |
CAS: |
531508-46-0 |
Synonyms: |
(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine; (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine |
IUPAC Name: | (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine |
Description: | 4-(Aminomethyl)-2,2-difluoro-1,3-benzodioxole (CAS# 531508-46-0) is used to prepare functionalized 2,2-Difluoro-1,3-benzodioxoles by reactions of 4-lithiated intermediate with carbon electrophiles and nitrogen nucelphiles. |
Molecular Weight: | 187.14 |
Molecular Formula: | C8H7F2NO2 |
Canonical SMILES: | C1=CC(=C2C(=C1)OC(O2)(F)F)CN |
InChI: | InChI=1S/C8H7F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H,4,11H2 |
InChI Key: | LZUWIFLVQKZUOO-UHFFFAOYSA-N |
LogP: | 2.16710 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
DE-102018217758-A1 | Polymer electrolyte composition comprising fluorine-containing additive and its use | 20181017 |
AU-2017212577-A1 | Benzimidazole derivatives as modulators of ROR-gamma | 20160129 |
EP-3408268-A1 | Benzimidazole derivatives as modulators of ror-gamma | 20160129 |
JP-2019503385-A | Benzimidazole derivatives as modulators of ROR-gamma | 20160129 |
KR-20180100697-A | Benzimidazole derivatives as modulators of ROR-gamma | 20160129 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.04448479 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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Amines and Anilines
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