Home > Compound List > Compound details
202865-69-8 molecular structure
click picture or here to close

(5-bromo-2-fluorophenyl)methanamine hydrochloride

ChemBase ID: 94204
Molecular Formular: C7H8BrClFN
Molecular Mass: 240.5005232
Monoisotopic Mass: 238.95126716
SMILES and InChIs

SMILES:
NCc1c(ccc(c1)Br)F.Cl
Canonical SMILES:
NCc1cc(Br)ccc1F.Cl
InChI:
InChI=1S/C7H7BrFN.ClH/c8-6-1-2-7(9)5(3-6)4-10;/h1-3H,4,10H2;1H
InChIKey:
KPOKOEWRTGFXDF-UHFFFAOYSA-N

Cite this record

CBID:94204 http://www.chembase.cn/molecule-94204.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-bromo-2-fluorophenyl)methanamine hydrochloride
IUPAC Traditional name
(5-bromo-2-fluorophenyl)methanamine hydrochloride
Synonyms
5-Bromo-2-fluorobenzylamine hydrochloride
(5-Bromo-2-fluorophenyl)methylamine hydrochloride
5-Bromo-2-fluorobenzylamine hydrochloride 97%
5-Bromo-2-fluorobenzylamine hydrochloride
5-溴-2-氟苄胺盐酸盐
CAS Number
202865-69-8
99725-13-0
MDL Number
MFCD00143426
PubChem SID
162080859
24877912
PubChem CID
2724903

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8743503  LogD (pH = 7.4) 0.48790342 
Log P 2.0104687  Molar Refractivity 42.3706 cm3
Polarizability 16.24921 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
221-226 °C(lit.) expand Show data source
221-226°C expand Show data source
221-226°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
BrC6H4(F)CH2NH2·HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 532762 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle