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4274-03-7 molecular structure
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5-chloro-2-methoxyaniline hydrochloride

ChemBase ID: 85721
Molecular Formular: C7H9Cl2NO
Molecular Mass: 194.05846
Monoisotopic Mass: 193.00611927
SMILES and InChIs

SMILES:
Nc1cc(ccc1OC)Cl.Cl
Canonical SMILES:
COc1ccc(cc1N)Cl.Cl
InChI:
InChI=1S/C7H8ClNO.ClH/c1-10-7-3-2-5(8)4-6(7)9;/h2-4H,9H2,1H3;1H
InChIKey:
ASEYMHNCCXSHIL-UHFFFAOYSA-N

Cite this record

CBID:85721 http://www.chembase.cn/molecule-85721.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-methoxyaniline hydrochloride
IUPAC Traditional name
5-chloro-2-methoxyaniline hydrochloride
Synonyms
2-AMINO-4-CHLORO ANISOLE, DIAZO SALT
2-Amino-4-chloroanisole hydrochloride
5-Chloro-o-anisidine hydrochloride
5-Chloro-2-methoxyaniline hydrochloride
p-CHLORO-o-AMINOANISOLE HYDROCHLORIDE, REAGENT GRADE
5-Chloro-2-methoxyaniline hydrochloride
5-氯-2-甲氧基苯胺.盐酸盐
CAS Number
4274-03-7
EC Number
224-272-7
MDL Number
MFCD00035488
PubChem SID
162072837
PubChem CID
77957

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5871061  LogD (pH = 7.4) 1.5906479 
Log P 1.5906932  Molar Refractivity 42.0264 cm3
Polarizability 15.859723 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
228°C expand Show data source
ca 228°C dec. expand Show data source
Storage Warning
Toxic expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
24/25-33-36/38 expand Show data source
Safety Statements
26-28-36/37-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Hazard statements
H301-H311-H315-H319-H373 expand Show data source
GHS Precautionary statements
P260-P301+P310-P305+P351+P338-P361-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Grade
REAGENT expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05204278 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05203447 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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