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26177-44-6 molecular structure
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(4-bromophenyl)methanamine hydrochloride

ChemBase ID: 92193
Molecular Formular: C7H9BrClN
Molecular Mass: 222.51006
Monoisotopic Mass: 220.96068897
SMILES and InChIs

SMILES:
NCc1ccc(cc1)Br.Cl
Canonical SMILES:
NCc1ccc(cc1)Br.Cl
InChI:
InChI=1S/C7H8BrN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
InChIKey:
BVYUYDBWQMSOKM-UHFFFAOYSA-N

Cite this record

CBID:92193 http://www.chembase.cn/molecule-92193.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-bromophenyl)methanamine hydrochloride
IUPAC Traditional name
4-bromo-benzylamine hydrochloride
Synonyms
4-bromobenzylamine hydrochloride
4-Bromobenzylamine hydrochloride 99+%
4-Bromobenzylamine hydrochloride
(4-bromophenyl)methanamine hydrochloride
4-溴苄胺 盐酸盐
CAS Number
26177-44-6
EC Number
247-503-3
MDL Number
MFCD00012860
Beilstein Number
3693458
PubChem SID
24852313
162078891
PubChem CID
2724096

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1165777  LogD (pH = 7.4) -0.14999859 
Log P 1.8677669  Molar Refractivity 42.1542 cm3
Polarizability 16.429401 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
272-274°C expand Show data source
274 - 276°C expand Show data source
274-276 °C(lit.) expand Show data source
274-276°C expand Show data source
Hydrophobicity(logP)
1.957 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
26-37 expand Show data source
26-37/39 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
95% expand Show data source
98% expand Show data source
Linear Formula
BrC6H4CH2NH2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 205214 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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