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α-Oxo-1H-indole-3-acetyl chloride

α-Oxo-1H-indole-3-acetyl chloride structure

CAS No:
22980-09-2
Formula:
C10H6ClNO2
Chemical Name:
α-Oxo-1H-indole-3-acetyl chloride
Synonyms:
1H-Indole-3-acetyl chloride,α-oxo-;Indole-3-glyoxyloyl chloride;α-Oxo-1H-indole-3-acetyl chloride;3-Indoleglyoxylyl chloride;2-(3-Indolyl)-2-oxoacetyl chloride;NSC 128332;(1H-Indol-3-yl)oxoacetyl chloride;2-(1H-Indol-3-yl)-2-oxoacetyl chloride;3-Indolylglyoxylyl chloride
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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α-Oxo-1H-indole-3-acetyl chloride Basic Attributes

Molecular Weight：

207.61

Exact Mass：

207.61

BRN：

147693

EC Number：

245-362-2

UNII：

34QT24PE76

NSC Number：

128332

DSSTox ID：

DTXSID20177526

HScode：

2918300090

Characteristics

PSA：

49.9

XLogP3：

2.11600

Appearance：

YELLOW TO ORANGE POWDER OR CRYSTALS

Density：

1.463 g/cm3

Melting Point：

129 °C

Boiling Point：

413.9ºC at 760 mmHg

Flash Point：

204.1ºC

Refractive Index：

1.676

Storage Conditions：

2-8°C

Vapor Pressure：

4.63E-07mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1759 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-27-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

α-Oxo-1H-indole-3-acetyl chloride Use and Manufacturing

Reactant for preparation of dual IGF-1R/SRC inhibitors1• ;Reactant for preparation of indolylglyoxylamides as a new class of antileishmanial agents2• ;Reactant for preparation of glyoxyl analogs of indole phytoalexins as anticancer agents3• ;Reactant for diastereoselective synthesis of heptacyclic core of dragmacidin E4• ;Reactant for preparation of benzoylmethylpyrrolopyridinylethanedione as HIV-1 inhibitor5• ;Reactant for preparation of fascaplysin-inspired diindolyls as selective inhibitors of CDK4/cyclin D16

Computed Properties

Molecular Weight:207.61
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:207.0087061
Monoisotopic Mass:207.0087061
Topological Polar Surface Area:49.9
Heavy Atom Count:14
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of α-Oxo-1H-indole-3-acetyl chloride

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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α-Oxo-1H-indole-3-acetyl chloride

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