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615-60-1 molecular structure
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4-chloro-1,2-dimethylbenzene

ChemBase ID: 52355
Molecular Formular: C8H9Cl
Molecular Mass: 140.61006
Monoisotopic Mass: 140.03927797
SMILES and InChIs

SMILES:
Cc1c(cc(cc1)Cl)C
Canonical SMILES:
Clc1ccc(c(c1)C)C
InChI:
InChI=1S/C8H9Cl/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
InChIKey:
HNQLMBJUMVLFCF-UHFFFAOYSA-N

Cite this record

CBID:52355 http://www.chembase.cn/molecule-52355.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-1,2-dimethylbenzene
IUPAC Traditional name
3,4-dimethylchlorobenzene
Synonyms
4-chloro-1,2-dimethylbenzene
1-Chloro-3,4-dimethylbenzene
4-Chloro-o-xylene
4-Chloro-o-xylene
3,4-Dimethylchlorobenzene
4-Chloro-1,2-dimethylbenzene
4-Chloro-o-xylene
1-Chloro-3,4-dimethylbenzene 98%
1-CHLORO-3,4-DIMETHYLBENZENE
4-氯邻二甲苯
3,4-二甲基氯苯
4-氯邻二甲苯
4-氯-1,2-二甲苯
CAS Number
615-60-1
EC Number
210-438-6
MDL Number
MFCD00000596
Beilstein Number
2076514
PubChem SID
162057118
24846324
24848347
PubChem CID
32886

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6041334  LogD (pH = 7.4) 3.6041334 
Log P 3.6041334  Molar Refractivity 40.9452 cm3
Polarizability 15.714869 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
221-223 °C(lit.) expand Show data source
221-223°C expand Show data source
221-223°C expand Show data source
Flash Point
152.6 °F expand Show data source
67 °C expand Show data source
67°C(153°F) expand Show data source
Density
1.047 expand Show data source
1.047 g/mL at 25 °C(lit.) expand Show data source
1.05 expand Show data source
Refractive Index
1.5280 expand Show data source
n20/D 1.528(lit.) expand Show data source
n20/D 1.529 expand Show data source
Hydrophobicity(logP)
3.803 expand Show data source
Storage Warning
IRRITANT 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
Download expand Show data source
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
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
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
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
90% expand Show data source
95% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3)2C6H3Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214807 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 137758 external link
Packaging
100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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