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6-Bromo-3-cyanoindole

6-Bromo-3-cyanoindole structure

CAS No:
224434-83-7
Formula:
C9H5BrN2
Chemical Name:
6-Bromo-3-cyanoindole
Synonyms:
6-Bromo-3-cyanoindole;1H-Indole-3-carbonitrile, 6-bromo-;6-broMoindole-3-carbonitrile;6-BROMO-3-CYANO-1H-INDOLE
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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6-Bromo-3-cyanoindole Basic Attributes

Molecular Weight：

221.05

Exact Mass：

219.963608

DSSTox ID：

DTXSID50466910

HScode：

2933990090

Characteristics

PSA：

39.6

XLogP3：

Density：

1.7±0.1 g/cm3

Boiling Point：

405.9°C at 760 mmHg

Flash Point：

199.3±23.2 °C

Refractive Index：

1.727

Safety Information

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:221.05
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:219.96361
Monoisotopic Mass:219.96361
Topological Polar Surface Area:39.6
Heavy Atom Count:12
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes