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1-BOC-INDOLE

1-BOC-INDOLE structure

CAS No:
75400-67-8
Formula:
C13H15NO2
Chemical Name:
1-BOC-INDOLE
Synonyms:
TERT-BUTYL 1H-INDOLE-1-CARBOXYLATE;TERT-BUTYL 1-INDOLECARBOXYLATE;INDOLE, BOC PROTECTED;1-BOC-INDOLE;1-(TERT-BUTOXYCARBONYL)INDOLE;Indole, N-BOC protected;Indole, N-BOC protected 98%;N-BOC INDOLE
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1-BOC-INDOLE Basic Attributes

Molecular Weight：

217.26

Exact Mass：

217.110275

BRN：

4674239

EC Number：

-0

DSSTox ID：

DTXSID10393394

HScode：

2933990090

Characteristics

PSA：

31.2

XLogP3：

3.3

Density：

1.1±0.1 g/cm3

Melting Point：

24-26

Boiling Point：

201 °C(lit.)

Flash Point：

160 °F

Refractive Index：

1.541

Storage Conditions：

Keep Cold

Safety Information

Hazard category：

IRRITANT, KEEP COLD

wgk germany：

safety instructions：

24/25

Marks：

Hazard note：

Irritant/Keep Cold

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 157 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:217.26
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:217.110278721
Monoisotopic Mass:217.110278721
Topological Polar Surface Area:31.2
Heavy Atom Count:16
Complexity:270
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes