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71-55-6 molecular structure
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1,1,1-trichloroethane

ChemBase ID: 125083
Molecular Formular: C2H3Cl3
Molecular Mass: 133.40422
Monoisotopic Mass: 131.93003314
SMILES and InChIs

SMILES:
ClC(Cl)(Cl)C
Canonical SMILES:
CC(Cl)(Cl)Cl
InChI:
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
InChIKey:
UOCLXMDMGBRAIB-UHFFFAOYSA-N

Cite this record

CBID:125083 http://www.chembase.cn/molecule-125083.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1-trichloroethane
IUPAC Traditional name
α-T
Synonyms
methyl chloroform
chlorothenm
Solvent 111, Genklenm
R-140a
1,1,1-Trichloroethane
‘Chlorothene’
Methylchloroform
1,1,1-Trichloroethane
偏三氯乙烷
甲基氯仿
1,1,1-三氯乙烷
CAS Number
71-55-6
EC Number
200-756-3
MDL Number
MFCD00000806
Beilstein Number
1731614
PubChem SID
162219433
24865130
24845355
24854114
24858006
PubChem CID
6278
CHEBI ID
36015
CHEMBL
16080
Chemspider ID
6042
KEGG ID
C18246
Unique Ingredient Identifier
113C650IR1
Wikipedia Title
1,1,1-Trichloroethane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0759518  LogD (pH = 7.4) 2.0759518 
Log P 2.0759518  Molar Refractivity 26.2173 cm3
Polarizability 10.150842 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)
Solubility
insoluble in water expand Show data source
Apperance
APHA: ≤10 expand Show data source
Colorless liquid expand Show data source
Melting Point
-33°C expand Show data source
-35 °C(lit.) expand Show data source
Boiling Point
72-75 °C expand Show data source
74°C expand Show data source
74-76 °C(lit.) expand Show data source
Auto Ignition Point
998 °F expand Show data source
Density
1.32 g/cm3 expand Show data source
1.336 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.4366(lit.) expand Show data source
n20/D 1.438 expand Show data source
Vapor Pressure
100 mmHg ( 20 °C) expand Show data source
Vapor Density
4.6 (vs air) 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
2831 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
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20-36/38-59 expand Show data source
20-59 expand Show data source
R19 R20 R40 R59 R66 expand Show data source
Safety Statements
24/25-26-59-61 expand Show data source
24/25-59-61 expand Show data source
S9 S16 S24 S25 S46 S59 S61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
Main Hazard
Irritant to the upper respiratory tract. Causes severe irritation and swelling to eyes. expand Show data source
NFPA704
NFPA 704 diagram
1
3
1
expand Show data source
Explode Limits
7.5-15 %, 25 °F expand Show data source
GHS Hazard statements
H315-H319-H332-H420 expand Show data source
H332 expand Show data source
GHS Precautionary statements
P273-P501 expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2831 6.1/PG 3 expand Show data source
Supplemental Hazard Statements
Hazardous to the ozone layer. expand Show data source
Purity
≥99% expand Show data source
≥99.5% expand Show data source
≥99.8% (GC) expand Show data source
98.5-101.0% CH3CCl3 + active additives basis expand Show data source
Grade
ACS reagent expand Show data source
analytical standard expand Show data source
anhydrous expand Show data source
ReagentPlus® expand Show data source
Evaporation Residue
<0.0003% expand Show data source
≤0.001% expand Show data source
Impurities
<0.005% water expand Show data source
≤0.0003 meq/g Titr. acid expand Show data source
≤0.10% water expand Show data source
Contains
0.05% low alkyl epoxide as stabilizer expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
Cl3CCH3 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 235571 external link
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 298999 external link
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
Sigma Aldrich - 02669 external link
Other Notes
Sales restrictions may apply
Sigma Aldrich - 402877 external link
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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