2-Propyn-1-yl 4-methylbenzenesulfonate

Names

[ Name ]:
2-Propyn-1-yl 4-methylbenzenesulfonate

[Synonym ]:
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

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.

MSDS

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

[ 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

Click to get detail synthetic route

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%

Articles

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4-prop-2-ynylpiperidine
1-(2-propynyl)-4-(trifluoromethyl)piperidine
4-Thiazolecarboxylicacid,4,5-dihydro-,2-propynylester(9CI)
(4-Amino-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-yl)methanol
4-Amino-3-(difluoromethyl)-5-fluoropicolinamide
2-(4-Amino-5-(difluoromethyl)-2-fluoropyridin-3-yl)acetonitrile
4-Amino-5-fluoro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
4-Amino-5-(difluoromethyl)-3-methylpicolinaldehyde
2-(4-Amino-6-(difluoromethyl)-5-fluoropyridin-2-yl)acetic acid
4-(Aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
4-Amino-2-(difluoromethyl)-5-(trifluoromethyl)nicotinaldehyde
2-(Difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridin-4-amine
4-(Difluoromethyl)-2-iodo-6-methylpyridine-3-sulfonamide

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