3-Bromo-4-fluorobenzylamine hydrochloride - CAS 202865-68-7
Catalog: |
BB015765 |
Product Name: |
3-Bromo-4-fluorobenzylamine hydrochloride |
CAS: |
202865-68-7 |
Synonyms: |
(3-bromo-4-fluorophenyl)methanamine;hydrochloride; (3-bromo-4-fluorophenyl)methanamine;hydrochloride |
IUPAC Name: | (3-bromo-4-fluorophenyl)methanamine;hydrochloride |
Description: | 3-Bromo-4-fluorobenzylamine hydrochloride (CAS# 202865-68-7) is a useful research chemical. |
Molecular Weight: | 240.50 |
Molecular Formula: | C7H8BrClFN |
Canonical SMILES: | C1=CC(=C(C=C1CN)Br)F.Cl |
InChI: | InChI=1S/C7H7BrFN.ClH/c8-6-3-5(4-10)1-2-7(6)9;/h1-3H,4,10H2;1H |
InChI Key: | RSFNYNQGERWCMT-UHFFFAOYSA-N |
Boiling Point: | 250.5 ℃ at 760 mmHg |
MDL: | MFCD00143094 |
LogP: | 3.54920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016316717-A1 | Phenoxymethyl derivatives | 20150904 |
EP-3344619-A1 | Phenoxymethyl derivatives | 20150904 |
JP-2018527353-A | Phenoxymethyl derivative | 20150904 |
US-10640472-B2 | Phenoxymethyl derivatives | 20150904 |
US-2018201588-A1 | Phenoxymethyl derivatives | 20150904 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95127 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95127 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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