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615-65-6 molecular structure
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2-chloro-4-methylaniline

ChemBase ID: 77566
Molecular Formular: C7H8ClN
Molecular Mass: 141.59812
Monoisotopic Mass: 141.03452694
SMILES and InChIs

SMILES:
Nc1c(cc(cc1)C)Cl
Canonical SMILES:
Cc1ccc(c(c1)Cl)N
InChI:
InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey:
XGYLSRFSXKAYCR-UHFFFAOYSA-N

Cite this record

CBID:77566 http://www.chembase.cn/molecule-77566.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-methylaniline
IUPAC Traditional name
2-chloro-4-methylaniline
Synonyms
2-Chloro-p-toluidine
2-Chloro-4-methylaniline
4-Amino-3-chlorotoluene
2-Chloro-4-methylaniline
4-AMINO-3-CHLOROTOLUENE
2-氯对甲苯胺
4-氨基-3-氯甲苯
2-氯-4-甲基苯胺
CAS Number
615-65-6
EC Number
210-440-7
MDL Number
MFCD00007666
Beilstein Number
774514
PubChem SID
24855052
24847644
162042438
PubChem CID
12007

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2595751  LogD (pH = 7.4) 2.261758 
Log P 2.261786  Molar Refractivity 40.6044 cm3
Polarizability 15.095062 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
7 °C(lit.) expand Show data source
7°C expand Show data source
7°C expand Show data source
Boiling Point
223-225 °C(lit.) expand Show data source
223-225°C expand Show data source
223-225°C expand Show data source
Flash Point
210.2 °F expand Show data source
99 °C expand Show data source
99°C expand Show data source
99°C(210°F) expand Show data source
Density
1.151 expand Show data source
1.151 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.575 expand Show data source
1.5750 expand Show data source
n20/D 1.575 expand Show data source
n20/D 1.575(lit.) expand Show data source
Storage Warning
Toxic/Harmful/Irritant/Corrosive/Light Sensitive/Keep Cold expand Show data source
RTECS
XU5110000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3429 expand Show data source
UN3429 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
20/21/22 expand Show data source
20/21/22-33-36/38 expand Show data source
R:36 expand Show data source
Safety Statements
26-28-36/37 expand Show data source
36/37 expand Show data source
S:26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H312-H315-H318-H332 expand Show data source
H331-H302-H312-H315-H319-H373 expand Show data source
GHS Precautionary statements
P260-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3429 6.1/PG 3 expand Show data source
Purity
≥97.0% (GC) expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClC6H3(CH3)NH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214466 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 125075 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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