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2-ETHYNYLBENZALDEHYDE

2-ETHYNYLBENZALDEHYDE structure

CAS No:
38846-64-9
Formula:
C9H6O
Chemical Name:
2-ETHYNYLBENZALDEHYDE
Synonyms:
2-Ethynylbenzaldehyde97%;2-ETHYNYLBENZALDEHYDE;2-ETHYLNYLBENZALDEHYDE, 97%;Benzaldehyde, 2-ethynyl- (9CI);2-Ethynylbenzaldehyde 97%;2-Formylphenylacetylene;Benzaldehyde, 2-ethynyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-ETHYNYLBENZALDEHYDE Basic Attributes

Molecular Weight：

130.14

Exact Mass：

130.041864811 g/mol

DSSTox ID：

DTXSID90348726

Characteristics

PSA：

17.1 Å²

Density：

1.07±0.1 g/cm3

Melting Point：

64-67 °C (lit.)

Boiling Point：

115 °C(Press: 12 Torr)

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Xi,F

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.

Drug Information

MeSH Entry Terms：

2-ethynylbenzaldehyde

Computed Properties

Molecular Weight:130.14
XLogP3:2
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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2-ETHYNYLBENZALDEHYDE

CAS No.: 38846-64-9

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