2-Propyn-1-yl 4-methylbenzenesulfonate

Modify Date: 2024-01-06 18:43:12

2-Propyn-1-yl 4-methylbenzenesulfonate Structure
2-Propyn-1-yl 4-methylbenzenesulfonate structure
Common Name 2-Propyn-1-yl 4-methylbenzenesulfonate
CAS Number 6165-76-0 Molecular Weight 210.250
Density 1.2±0.1 g/cm3 Boiling Point 345.8±17.0 °C at 760 mmHg
Molecular Formula C10H10O3S Melting Point N/A
MSDS Chinese USA Flash Point 163.0±20.9 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name Propargyl p-toluenesulfonate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 345.8±17.0 °C at 760 mmHg
Molecular Formula C10H10O3S
Molecular Weight 210.250
Flash Point 163.0±20.9 °C
Exact Mass 210.035065
PSA 51.75000
LogP 1.68
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.541
Storage condition 2-8°C
Water Solubility Soluble in Chloroform, Dichloromethane, DMSO, Ethyl Acetate. Not miscible in water.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT7300000
CHEMICAL NAME :
p-Toluenesulfonic acid, 2-propynyl ester
CAS REGISTRY NUMBER :
6165-76-0
BEILSTEIN REFERENCE NO. :
1912957
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H10-O3-S
MOLECULAR WEIGHT :
210.26
WISWESSER LINE NOTATION :
1UU2OSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00017

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R22;R36/37/38
Safety Phrases S26-S37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS XT7300000
HS Code 2905290000

 Synthetic Route

~93%

2-Propyn-1-yl 4-methylbenzenesulfonate Structure

2-Propyn-1-yl 4...

CAS#:6165-76-0

Literature: Srinivasan, Rajavel; Uttamchandani, Mahesh; Yao, Shao Q. Organic Letters, 2006 , vol. 8, # 4 p. 713 - 716

 Customs

HS Code 2905290000
Summary 2905290000 unsaturated monohydric alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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 Synonyms

MFCD00078365
2-Propyn-1-ol, 4-methylbenzenesulfonate
prop-2-ynyl 4-methylbenzenesulfonate
2-Propyn-1-yl 4-methylbenzenesulfonate
Prop-2-yn-1-yl 4-methylbenzenesulfonate