Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:125083
Structure
Similarity
Functional Group
Text
General Information
Structure
Loading...
Molecular Formula
C₂H₃Cl₃
Molecular Mass
133.40422
Exact Mass
131.93003314
Charge
0
InChI
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
InChIKey
UOCLXMDMGBRAIB-UHFFFAOYSA-N
Canonic Smiles
CC(Cl)(Cl)Cl
Isomeric Smiles
ClC(Cl)(Cl)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0759518
LogD (pH = 7.4)
2.0759518
Log P
2.0759518
Molar Refractivity
26.2173
Polarizability
10.150842
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Academic Data
•
Commercial Catalog
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
Properties
•
Safety Information
•
Physical Property
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
Wikipedia
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
Wikipedia
1,1,1-Trichloroethane
PubChem
6278
Commercial Catalog
Sigma Aldrich
298999
235571
02669
402877
Names and Identifiers
Synonyms
R-140a
chlorothenm
methyl chloroform
1,1,1-Trichloroethane
Solvent 111, Genklenm
Methylchloroform
甲基氯仿
‘Chlorothene’
偏三氯乙烷
1,1,1-三氯乙烷
1,1,1-Trichloroethane
IUPAC name
1,1,1-trichloroethane
IUPAC Traditional name
α-T
Registration numbers
Wikipedia Title
1,1,1-Trichloroethane
KEGG ID
C18246
Chemspider ID
6042
CHEMBL
16080
Unique Ingredient Identifier
113C650IR1
CAS Number
71-55-6
PubChem CID
6278
CHEBI ID
36015
MDL Number
MFCD00000806
EC Number
200-756-3
PubChem SID
24858006
24854114
24845355
24865130
162219433
Beilstein Number
1731614
Molecule Details
Wikipedia
1,1,1-Trichloroethane
Sigma Aldrich
298999
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
235571
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
02669
Other Notes
Sales restrictions may apply
402877
Application
Please view www.aldrich.com/epaods regarding the EPA′s request for application information of Ozone Depleting Substances
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
Wikipedia Title
•
KEGG ID
•
Chemspider ID
•
CHEMBL
•
Unique Ingredient Identifier
•
CAS Number
•
PubChem CID
•
CHEBI ID
•
MDL Number
•
EC Number
•
PubChem SID
•
Beilstein Number
Properties
Safety Information
NFPA704
1
3
1
Source
Main Hazard
Irritant to the upper respiratory tract. Causes severe irritation and swelling to eyes.
Source
Safety Statements
S9 16 24 25 46 59 61
Source
24/25
-
26
-
59
-
61
Source
24/25
-
59
-
61
Source
Risk Statements
R19 20 40 59 66
Source
20
-
36/38
-
59
Source
20
-
59
Source
Explode Limits
7.5-15 %, 25 °F
Source
RID/ADR
UN 2831 6.1/PG 3
Source
European Hazard Symbols
Harmful (Xn)
Source
Nature polluting (N)
UN Number
2831
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Hazard statements
H315
-
H319
-
H332
-
H420
Source
H332
Source
GHS Precautionary statements
P305+P351+P338
Source
P273
-
P501
Source
GHS Signal Word
Warning
Source
Danger
Source
Packing Group
3
Source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Hazard Class
6.1
Source
German water hazard class
3
Source
Supplemental Hazard Statements
Hazardous to the ozone layer.
Source
Physical Property
Melting Point
-33°C
Source
-35 °C(lit.)
Source
Apperance
Colorless liquid
Source
APHA: ≤10
Source
Solubility
insoluble in water
Source
Density
1.32 g/cm
3
Source
1.336 g/mL at 20 °C(lit.)
Source
74°C
Source
74-76 °C(lit.)
Source
72-75 °C
Source
998 °F
Source
4.6 (vs air)
Source
100 mmHg ( 20 °C)
Source
n20/D 1.4366(lit.)
Source
n20/D 1.438
Source
Product Information
Purity
≥99.5%
Source
≥99%
Source
≥99.8% (GC)
Source
98.5-101.0% CH3CCl3 + active additives basis
Source
Impurities
<0.005% water
Source
≤0.0003 meq/g Titr. acid
Source
≤0.10% water
Source
<0.0003%
Source
≤0.001%
Source
anhydrous
Source
ReagentPlus®
Source
analytical standard
Source
ACS reagent
Source
0.05% low alkyl epoxide as stabilizer
Source
Cl3CCH3
Source
(limited shelf life, expiry date on the label)
Source
Source
Boiling Point
Auto Ignition Point
Vapor Density
Vapor Pressure
Refractive Index
Evaporation Residue
Grade
Contains
Linear Formula
Shelf Life