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3-Ethynylbenzaldehyde

3-Ethynylbenzaldehyde structure

CAS No:
77123-56-9
Formula:
C9H6O
Chemical Name:
3-Ethynylbenzaldehyde
Synonyms:
Benzaldehyde,3-ethynyl-;3-Ethynylbenzaldehyde;m-Ethynylbenzaldehyde;3-Formylphenylacetylene

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3-Ethynylbenzaldehyde Basic Attributes

Molecular Weight：

130.14

Exact Mass：

130.14

UNII：

UT20G3FW1K

DSSTox ID：

DTXSID50377991

Characteristics

Density：

1.07±0.1 g/cm3

Melting Point：

76-76.5 °C @ Solvent: Hexane

Boiling Point：

229.2±23.0 °C(Predicted)

Safety Information

wgk germany：

hazard class code：

22-36-43

safety instructions：

26-36/37

Marks：

T,Xn

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:130.14
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:130.041864811
Monoisotopic Mass:130.041864811
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Ethynylbenzaldehyde

Basic Attributes
Characteristics
Safety Information
Computed Properties

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