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5-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

5-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER structure

CAS No:
850349-72-3
Formula:
C13H13BrINO2
Chemical Name:
5-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Synonyms:
5-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;5-BROMO-3-IODOINDOLE, N-BOC PROTECTED;1-BOC-5-BROMO-3-IODO-INDOLE;tert-butyl 5-bromo-3-iodo-1H-indole-1-carboxylate;1H-Indole-1-carboxylic acid, 5-broMo-3-iodo-, 1,1-diMethylethyl ester;5-Bromo-3-iodo-1H-indole, N-BOC protected 98%;tert-Butyl 5-bromo-3-iodo-1H-indole-1-carboxylate, 5-Bromo-1-(tert-butoxycarbonyl)-3-iodo-1H-indole;5-Bromo-3-iodo-1H-indole,N-BOCprotected97%
Categories:
Organic Chemistry > Quinones

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5-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Basic Attributes

Molecular Weight：

422.06

Exact Mass：

420.917419

DSSTox ID：

DTXSID20590135

HScode：

2933990090

Characteristics

PSA：

31.2

XLogP3：

5.67

Density：

1.8±0.1 g/cm3

Boiling Point：

434.0±48.0 °C at 760 mmHg

Flash Point：

216.3±29.6 °C

Refractive Index：

1.640

Safety Information

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:422.06
XLogP3:4.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:420.91744
Monoisotopic Mass:420.91744
Topological Polar Surface Area:31.2
Heavy Atom Count:18
Complexity:331
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Basic Attributes
Characteristics
Safety Information
Computed Properties
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5-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

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