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4-ETHYNYL-BENZOICACIDMETHYLESTER

4-ETHYNYL-BENZOICACIDMETHYLESTER structure

CAS No:
3034-86-4
Formula:
C10H8O2
Chemical Name:
4-ETHYNYL-BENZOICACIDMETHYLESTER
Synonyms:
Methylp-ethynylbenzoate;Methyl4-ethynylbenzoate95%;p-Ethynylbenzoicacidmethylester;4-(Methoxycarbonyl)phenylacetylene;4-ETHYNYL-BENZOICACIDMETHYLESTER;Benzoicacid,4-ethynyl-,Methylester
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-ETHYNYL-BENZOICACIDMETHYLESTER Basic Attributes

Molecular Weight：

160.17

Exact Mass：

160.052429

DSSTox ID：

DTXSID30348700

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

2.6

Density：

1.1±0.1 g/cm3

Melting Point：

103-105℃

Boiling Point：

239.4°C at 760 mmHg

Flash Point：

92.0±20.0 °C

Refractive Index：

1.538

Water Solubility：

Sparingly soluble in water (0.16 g/L at 25°C).

Safety Information

wgk germany：

safety instructions：

22-26-36

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:160.17
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:160.052429494
Monoisotopic Mass:160.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 3034-86-4

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Guide of 4-ETHYNYL-BENZOICACIDMETHYLESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties
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