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4684-12-2 molecular structure
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4-chloronaphthalen-1-amine

ChemBase ID: 110537
Molecular Formular: C10H8ClN
Molecular Mass: 177.63022
Monoisotopic Mass: 177.03452694
SMILES and InChIs

SMILES:
Nc1ccc(Cl)c2c1cccc2
Canonical SMILES:
Clc1ccc(c2c1cccc2)N
InChI:
InChI=1S/C10H8ClN/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,12H2
InChIKey:
DEPDZGNUVOAZCW-UHFFFAOYSA-N

Cite this record

CBID:110537 http://www.chembase.cn/molecule-110537.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloronaphthalen-1-amine
IUPAC Traditional name
4-chloronaphthalen-1-amine
Synonyms
4-Chloro-1-naphthylamine
1-Amino-4-chloronaphthalene
1-AMINO-4-CHLORONAPHTHALENE
4-氯-1-萘胺
1-氨基-4-氯萘
CAS Number
4684-12-2
EC Number
225-138-0
MDL Number
MFCD00004024
PubChem SID
24890890
162096153
PubChem CID
78408

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78408 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7352777  LogD (pH = 7.4) 2.737809 
Log P 2.7378414  Molar Refractivity 52.0134 cm3
Polarizability 20.86703 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
98-100 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
26-37/39 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2NC10H6Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215451 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A46404 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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