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75-34-3 molecular structure
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1,1-dichloroethane

ChemBase ID: 9124
Molecular Formular: C2H4Cl2
Molecular Mass: 98.95916
Monoisotopic Mass: 97.96900549
SMILES and InChIs

SMILES:
C(C)(Cl)Cl
Canonical SMILES:
CC(Cl)Cl
InChI:
InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3
InChIKey:
SCYULBFZEHDVBN-UHFFFAOYSA-N

Cite this record

CBID:9124 http://www.chembase.cn/molecule-9124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1-dichloroethane
IUPAC Traditional name
1,1-dichloroethane
Synonyms
1,1-Dichloroethane
1,1-DICHLORETHANE
1,1-Dichloroethane
1,1-Dichloroethane 95+%
ethylidene dichloride
ethylidene chloride
CFC-150a
1,1-DCA
1,1-二氯乙烷
二氯化亚乙基
CAS Number
75-34-3
EC Number
200-863-5
MDL Number
MFCD00013673
Beilstein Number
1696901
PubChem SID
24872026
160972431
24863006
PubChem CID
6365
CHEMBL
45079
Chemspider ID
6125
KEGG ID
C18247
Wikipedia Title
1,1-Dichloroethane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5184708  LogD (pH = 7.4) 1.5184708 
Log P 1.5184708  Molar Refractivity 21.2806 cm3
Polarizability 8.179762 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)
Melting Point
-97 °C expand Show data source
-97.4°C expand Show data source
Boiling Point
57°C expand Show data source
57.2 °C expand Show data source
57.3°C expand Show data source
Flash Point
-10 °C expand Show data source
14 °F expand Show data source
-6°C expand Show data source
Density
1.174 g/ml expand Show data source
1.18 expand Show data source
1.2 g/cm3 expand Show data source
Storage Warning
Flammable/Harmful/Irritant expand Show data source
IRRITANT, FLAMMABLE expand Show data source
RTECS
KI0175000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2362 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
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-22-36/37-52/53 expand Show data source
R:11-22-36/37-52/53 expand Show data source
Safety Statements
16-23-61 expand Show data source
S:16-23-61 expand Show data source
TSCA Listed
true expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H302-H319-H335-H412 expand Show data source
GHS Precautionary statements
P210-P261-P273-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 2362 3/PG 2 expand Show data source
Purity
95% expand Show data source
Grade
analytical standard expand Show data source
analytical standard, for environmental analysis expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 500 mg expand Show data source
Linear Formula
CH3CHCl2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Wikipedia Wikipedia
MP Biomedicals - 05210129 external link
MP Biomedicals Rare Chemical collection
Apollo Scientific Ltd - OR3712 external link
Stabilised with nitromethane

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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