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5-Chloroindole

5-Chloroindole structure

CAS No:
17422-32-1
Formula:
C8H6ClN
Chemical Name:
5-Chloroindole
Synonyms:
1H-Indole,5-chloro-;Indole,5-chloro-;5-Chloro-1H-indole;5-Chloroindole;NSC 89562
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White to slightly greyish-green crystalline powder

5-Chloroindole Basic Attributes

Molecular Weight：

151.59

Exact Mass：

151.59

BRN：

2651

EC Number：

241-448-9

UNII：

FMJ30GB9J6

NSC Number：

89562

DSSTox ID：

DTXSID10169793

HScode：

29339990

Characteristics

PSA：

15.8

XLogP3：

2.9

Appearance：

White to slightly grayish-green Crystalline Powder

Density：

1.1976 (rough estimate)

Melting Point：

69-70 °C

Boiling Point：

130 °C / 0.4mmHg

Flash Point：

158.9±5.4 °C

Refractive Index：

1.5437 (estimate)

Water Solubility：

Soluble in alcohol.

Storage Conditions：

2-8°C

Vapor Pressure：

0.00309mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

2811

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

22-24/25-36-26-37/39

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|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|Aggregated GHS information provided by 12 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-chloroindole

5-Chloroindole Use and Manufacturing

5-Chloroindole is a halo-substituted indole used in the preparation of neurologically active compounds such as atypical antipsychotic agents. 5-Chloroindole has been shown to depress serotonin levels in the brainstem and telencephalon.

Computed Properties

Molecular Weight:151.59
XLogP3:2.9
Hydrogen Bond Donor Count:1
Exact Mass:151.0188769
Monoisotopic Mass:151.0188769
Topological Polar Surface Area:15.8
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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