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Phenylpropynal

Phenylpropynal structure

CAS No:
2579-22-8
Formula:
C9H6O
Chemical Name:
Phenylpropynal
Synonyms:
2-Propynal,3-phenyl-;Propiolaldehyde,phenyl-;3-Phenyl-2-propynal;Benzenepropiolaldehyde;Phenylpropargylaldehyde;Phenylpropynal;3-Phenylpropynal;Phenylpropiolaldehyde;Phenylacetylenecarboxaldehyde;Formylphenylacetylene;3-Phenyl-2-propyn-1-al;NSC 47568;3-Phenyl-2-propiolaldehyde;3-Phenylpropiolaldehyde;1801141-87-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Phenylpropynal Basic Attributes

Molecular Weight：

130.146

Exact Mass：

130.14

EC Number：

219-942-0

NSC Number：

47568

DSSTox ID：

DTXSID80180455

HScode：

2912299000

Characteristics

PSA：

17.1

XLogP3：

Appearance：

Clear, deep red liquid.

Density：

1.0622 g/cm³ @ Temp: 20 °C

Melting Point：

139-140 °C (decomp)

Boiling Point：

114-117 °C @ Press: 17 Torr

Flash Point：

94.4±0.0 °C

Refractive Index：

1.564

Storage Conditions：

2-8ºC

Vapor Pressure：

0.0428mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

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 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Endogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES. (See all compounds classified as beta-Lactamase Inhibitors.)

MeSH Entry Terms：

phenylpropynal

Computed Properties

Molecular Weight:130.14
XLogP3:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:130.041864811
Monoisotopic Mass:130.041864811
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Phenylpropynal

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Phenylpropiolaldehyde

CAS No.: 2579-22-8

Content: 99.00%

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Hangzhou Chungyo Chemicals Co., Ltd. Contact Supplier

CN
3 YRS

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Manufactory Supplier of Dyes,Textile agent,Medical intermediate,API,Pigments,Basic Chemicals

Phenylpropiolaldehyde

CAS No.: 2579-22-8

Grade: pharmaceutical grade

Content: 98%

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