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ETHYNYL P-TOLYL SULFONE

ETHYNYL P-TOLYL SULFONE structure

CAS No:
13894-21-8
Formula:
C9H8O2S
Chemical Name:
ETHYNYL P-TOLYL SULFONE
Synonyms:
1-(ethynylsulfonyl)-4-Methylbenzene;Ethynyl p-Tolyl Sulfone;ETHYNYL P-TOLYL SULFONE;P-TOLUENESULFONYLACETYLENE;TOSYLACETYLENE;p-Toluenesulfonylacetylene,Tosylacetylene
Categories:
Chemical Reagents > Organic Reagents

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ETHYNYL P-TOLYL SULFONE Basic Attributes

Molecular Weight：

180.22

Exact Mass：

180.024506

DSSTox ID：

DTXSID20403554

HScode：

29041000

Characteristics

PSA：

42.5

XLogP3：

2.6

Density：

1.2±0.1 g/cm3

Melting Point：

73-74 °C(lit.)

Boiling Point：

297.9°C at 760 mmHg

Flash Point：

155.6±18.1 °C

Refractive Index：

1.553

Water Solubility：

organic solvents: soluble(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.23
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:180.02450067
Monoisotopic Mass:180.02450067
Topological Polar Surface Area:42.5
Heavy Atom Count:12
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes