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75-00-3 molecular structure
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chloroethane

ChemBase ID: 126527
Molecular Formular: C2H5Cl
Molecular Mass: 64.5141
Monoisotopic Mass: 64.00797784
SMILES and InChIs

SMILES:
ClCC
Canonical SMILES:
CCCl
InChI:
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3
InChIKey:
HRYZWHHZPQKTII-UHFFFAOYSA-N

Cite this record

CBID:126527 http://www.chembase.cn/molecule-126527.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloroethane
IUPAC Traditional name
ethyl chloride
Synonyms
Chloroethane solution
Chloroethane
Ethyl chloride
Monochloroethane
Chlorene
Muriatic ether
EtCl
UN 1037
Chloroethane
乙基氯
氯乙烷 溶液
氯乙烷
CAS Number
75-00-3
EC Number
200-659-6
200-830-5
MDL Number
MFCD00000961
Beilstein Number
1730751
PubChem SID
24857739
162220859
24864899
24845449
24845448
24857773
24860535
24871981
PubChem CID
6337
CHEBI ID
47554
ATC CODE
N01BX01
CHEMBL
46058
Chemspider ID
6097
KEGG ID
D04088
Unique Ingredient Identifier
46U771ERWK
Wikipedia Title
Chloroethane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1928227  LogD (pH = 7.4) 1.1928227 
Log P 1.1928227  Molar Refractivity 16.0609 cm3
Polarizability 6.2497373 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
0.6 g/100 ml (?°C) in water expand Show data source
Apperance
colourless gas expand Show data source
Melting Point
-139 °C (134 K) expand Show data source
-139 °C(lit.) expand Show data source
Boiling Point
12.3 °C (285.4 K) expand Show data source
12.3 °C(lit.) expand Show data source
Flash Point
11 °C expand Show data source
-30 °F expand Show data source
-34 °C expand Show data source
-40 °C expand Show data source
-40 °F expand Show data source
-50 °C expand Show data source
-50°C (closed cup) expand Show data source
51.8 °F expand Show data source
-58 °F expand Show data source
Auto Ignition Point
966 °F expand Show data source
Density
0.765 g/mL at 25 °C expand Show data source
0.775 g/mL at 25 °C expand Show data source
0.92 g/cm3, liquid expand Show data source
0.921 g/mL at 0-4 °C(lit.) expand Show data source
Vapor Pressure
19.2 psi ( 20 °C) expand Show data source
20.03 psi ( 55 °C) expand Show data source
32.29 psi ( 55 °C) expand Show data source
5.98 psi ( 20 °C) expand Show data source
9.86 psi ( 20 °C) expand Show data source
Vapor Density
2.22 (vs air) expand Show data source
RTECS
KH7525000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Highly flammable Highly flammable (F+) expand Show data source
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1037 expand Show data source
1230 expand Show data source
1993 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
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
Hazard Class
2.1 expand Show data source
3 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
11-23/24/25-39/23/24/25 expand Show data source
12-19-22-40-66-67 expand Show data source
12-40-52/53 expand Show data source
45-11-20/21/22-36/37/38 expand Show data source
R12, R40, R52, R53 expand Show data source
Safety Statements
16-36/37 expand Show data source
53-16-26-36/37/39-45 expand Show data source
7-16-36/37-45 expand Show data source
9-16-33-36/37-61 expand Show data source
S9, S16, S33, S36, S37, S61 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Flammable expand Show data source
NFPA704
NFPA 704 diagram
4
2
2
expand Show data source
GHS Hazard statements
H220-H280-H351-H412 expand Show data source
H224-H302-H336-H351 expand Show data source
H225-H301 + H311 + H331-H370 expand Show data source
H225-H301-H311-H331-H370 expand Show data source
GHS Precautionary statements
P210-P260-P280-P301 + P310-P311 expand Show data source
P210-P261-P281 expand Show data source
P210-P273-P281-P410 + P403 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 1037 2.1 expand Show data source
UN 1230 2.1/PG 2 expand Show data source
UN 1230 3/PG 2 expand Show data source
UN 1993 3/PG 1 expand Show data source
UN 1993 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides., Repeated exposure may cause skin dryness or cracking. expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% expand Show data source
≥99.7% expand Show data source
≥99.8% expand Show data source
Concentration
1000 μg/mL in methanol expand Show data source
2.0 M in diethyl ether expand Show data source
2.0 M in tert-butyl methyl ether expand Show data source
200 μg/mL in methanol expand Show data source
Grade
analytical standard expand Show data source
anhydrous expand Show data source
purum expand Show data source
Packaging
ampule of 1 mL expand Show data source
Impurities
<0.005% water expand Show data source
≤0.02% water expand Show data source
diethylether expand Show data source
water expand Show data source
Empirical Formula (Hill Notation)
C2H5Cl expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 295310 external link
Packaging
1 kg in Sure-Pac™
100, 500 g in Sure-Pac™
Recommended products
Brass hose adapter Z14,681-1 or brass body mini gas regulator Z51,353-9 is recommended.
Sigma Aldrich - 338303 external link
Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.
Sigma Aldrich - 294802 external link
Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.
Sigma Aldrich - 03340 external link
Other Notes
Sales restrictions may apply
Packaging
Pressure tin with 100 mL (net ~89 g)
Sigma Aldrich - 03341 external link
Other Notes
Sales restrictions may apply
Packaging
Pressure tin with 250 mL (net ~225 g)
Sigma Aldrich - 03344 external link
Other Notes
Sales restrictions may apply
Packaging
Cylinder with net ~5.5 kg

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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