β-Chloroethyl p-toluenesulfonate

Modify Date: 2024-01-05 10:53:56

β-Chloroethyl p-toluenesulfonate Structure
β-Chloroethyl p-toluenesulfonate structure
Common Name β-Chloroethyl p-toluenesulfonate
CAS Number 80-41-1 Molecular Weight 234.700
Density 1.3±0.1 g/cm3 Boiling Point 393.3±0.0 °C at 760 mmHg
Molecular Formula C9H11ClO3S Melting Point 157-161ºC
MSDS Chinese USA Flash Point 185.5±20.9 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2-Chloroethyl 4-methylbenzenesulfonate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 393.3±0.0 °C at 760 mmHg
Melting Point 157-161ºC
Molecular Formula C9H11ClO3S
Molecular Weight 234.700
Flash Point 185.5±20.9 °C
Exact Mass 234.011749
PSA 51.75000
LogP 1.90
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.529

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT6475000
CHEMICAL NAME :
p-Toluenesulfonic acid, beta-chloroethyl ester
CAS REGISTRY NUMBER :
80-41-1
BEILSTEIN REFERENCE NO. :
1968816
LAST UPDATED :
199707
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H11-Cl-O3-S
MOLECULAR WEIGHT :
234.71
WISWESSER LINE NOTATION :
G2OSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1068,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
498 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1068,1986

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R22
Safety Phrases S23-S36/37/39
RIDADR 2810
WGK Germany 3
RTECS XT6475000
Packaging Group III
Hazard Class 6.1

 Synthetic Route

~97%

β-Chloroethyl p-toluenesulfonate Structure

β-Chloroethyl p...

CAS#:80-41-1

Literature: CALIFORNIA INSTITUTE OF TECHNOLOGY Patent: WO2009/52148 A1, 2009 ; Location in patent: Page/Page column 29 ;

~43%

β-Chloroethyl p-toluenesulfonate Structure

β-Chloroethyl p...

CAS#:80-41-1

Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 20, p. 205 - 213 Zhurnal Organicheskoi Khimii, , vol. 20, # 2 p. 233 - 242

~67%

β-Chloroethyl p-toluenesulfonate Structure

β-Chloroethyl p...

CAS#:80-41-1

Literature: Journal of Organic Chemistry, , vol. 53, # 24 p. 5783 - 5785

~42%

β-Chloroethyl p-toluenesulfonate Structure

β-Chloroethyl p...

CAS#:80-41-1

Literature: Journal of Organic Chemistry USSR (English Translation), , vol. 20, p. 205 - 213 Zhurnal Organicheskoi Khimii, , vol. 20, # 2 p. 233 - 242

~%

β-Chloroethyl p-toluenesulfonate Structure

β-Chloroethyl p...

CAS#:80-41-1

Literature: Justus Liebigs Annalen der Chemie, , vol. 710, p. 71 - 76

~%

β-Chloroethyl p-toluenesulfonate Structure

β-Chloroethyl p...

CAS#:80-41-1

Literature: Doklady Akademii Nauk UzSSR, , # 12 p. 23,24 Chem.Abstr., , p. 9114

 Articles1

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 Synonyms

p-Toluenesulfonic acid, β-chloroethyl ester
Ethanol, 2-chloro-, 4-methylbenzenesulfonate
2-Chloroethyl 4-methylbenzenesulfonate
MFCD00000970
β-Chloroethyl p-toluenesulfonate
EINECS 201-277-2
Ethanol, 2-chloro-, p-toluenesulfonate (8CI)