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112-52-7 molecular structure
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1-chlorododecane

ChemBase ID: 110253
Molecular Formular: C12H25Cl
Molecular Mass: 204.7799
Monoisotopic Mass: 204.16447848
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCl
Canonical SMILES:
CCCCCCCCCCCCCl
InChI:
InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey:
YAYNEUUHHLGGAH-UHFFFAOYSA-N

Cite this record

CBID:110253 http://www.chembase.cn/molecule-110253.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chlorododecane
IUPAC Traditional name
1-chlorododecane
Synonyms
n-DODECYL CHLORIDE
Dodecyl chloride
Lauryl chloride
1-Chlorododecane
十二烷基氯
月桂基氯
1-氯十二烷
CAS Number
112-52-7
EC Number
203-981-5
MDL Number
MFCD00013688
Beilstein Number
635778
PubChem SID
162095737
24854725
24854722
PubChem CID
8192

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8192 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.716463  LogD (pH = 7.4) 5.716463 
Log P 5.716463  Molar Refractivity 61.9939 cm3
Polarizability 24.656315 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
130 °C expand Show data source
266 °F expand Show data source
Density
0.867 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.443 expand Show data source
Transition Temperature
solidification point -15--10 °C expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3082 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
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
40-50/53-66 expand Show data source
Safety Statements
24-36/37-46-60-61 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H351-H410 expand Show data source
GHS Precautionary statements
P273-P281-P501 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
RID/ADR
UN 3082 9/PG 3 expand Show data source
Supplemental Hazard Statements
Repeated exposure may cause skin dryness or cracking. expand Show data source
Purity
≥97.0% (GC) expand Show data source
≥99.5% (GC) expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3(CH2)11Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214259 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 24498 external link
Packaging
10 mL in glass bottle
Sigma Aldrich - 24500 external link
Packaging
1 L in glass bottle
250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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