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1-(TERT-BUTOXYCARBONYL)-5-CHLOROINDOLE&

1-(TERT-BUTOXYCARBONYL)-5-CHLOROINDOLE& structure

CAS No:
129822-48-6
Formula:
C13H14ClNO2
Chemical Name:
1-(TERT-BUTOXYCARBONYL)-5-CHLOROINDOLE&
Synonyms:
N-Boc-5-chloroindole;1-(tert-Butoxycarbonyl)-5-chloroindole;1-Boc-5-chloroindole;tert-Butyl 5-chloro-1H-indole-1-carboxylate;1H-Indole-1-carboxylic acid, 5-chloro-, 1,1-diMethylethyl ester
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1-(TERT-BUTOXYCARBONYL)-5-CHLOROINDOLE& Basic Attributes

Molecular Weight：

251.71

Exact Mass：

251.0713064

DSSTox ID：

DTXSID80466589

HScode：

2933990090

Characteristics

PSA：

31.23000

XLogP3：

4.07790

Density：

1.19g/cm3

Melting Point：

45-50 °C(lit.)

Boiling Point：

349.934ºC

Flash Point：

165.434ºC

Refractive Index：

1.557

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

25-43

safety instructions：

36/37-45

Marks：

Precautionary statement(s)：

P280; P301 + P310

Hazard Statements：

H301; H317; H413

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, 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:251.71
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:251.0713064
Monoisotopic Mass:251.0713064
Topological Polar Surface Area:31.2
Heavy Atom Count:17
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(TERT-BUTOXYCARBONYL)-5-CHLOROINDOLE&

Basic Attributes
Characteristics
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