8-(Bromomethyl)quinoline - CAS 7496-46-0
Catalog: |
BB035197 |
Product Name: |
8-(Bromomethyl)quinoline |
CAS: |
7496-46-0 |
Synonyms: |
8-(bromomethyl)quinoline |
IUPAC Name: | 8-(bromomethyl)quinoline |
Description: | 8-(Bromomethyl)quinoline (CAS# 7496-46-0) is an intermediate in synthesizing 8-Quinolinemethanamine Dihydrochloride (Q700700), which is a salt form of 8-Quinolinemethanamine. 8-Quinolinemethanamine is used in the preparation of quinazolinone derivatives as anti-tumor agents. |
Molecular Weight: | 222.08 |
Molecular Formula: | C10H8BrN |
Canonical SMILES: | C1=CC2=C(C(=C1)CBr)N=CC=C2 |
InChI: | InChI=1S/C10H8BrN/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2 |
InChI Key: | IAAUGSYGHOFWEW-UHFFFAOYSA-N |
Boiling Point: | 321.9 °C at 760 mmHg |
Melting Point: | 81-82 °C |
Purity: | 95 % |
Density: | 1.518 g/cm3 |
Appearance: | Needles or prisms |
MDL: | MFCD00047621 |
LogP: | 3.12970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21200479 | 20071206 | [N-(8-Quinolylmeth-yl)imino-diethanol-κN,N',O,O']bis-(thio-cyanato-κN)nickel(II) monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.98401 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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