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Isoindoline

Isoindoline structure

CAS No:
496-12-8
Formula:
C8H9N
Chemical Name:
Isoindoline
Synonyms:
1H-Isoindole,2,3-dihydro-;Isoindoline;2,3-Dihydro-1H-isoindole;2-Azaindan;1,3-Dihydroisoindole;2,3-Dihydro-1H-isoindole;1,3-Dihydro-2H-isoindole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Isoindoline Basic Attributes

Molecular Weight：

119.167

Exact Mass：

119.16

HScode：

29339980

Characteristics

PSA：

XLogP3：

1.01

Density：

1.05 g/cm³

Melting Point：

17 °C

Boiling Point：

126-127 °C @ Press: 18 Torr

Flash Point：

75.8±14.2 °C

Refractive Index：

1.562

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 130 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Isoindoline Use and Manufacturing

Isoindoline is used to make a chiral diamine catalyst from L-proline for the asymmetric acylation of alcohols.1

Computed Properties

Molecular Weight:119.16
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:119.073499291
Monoisotopic Mass:119.073499291
Topological Polar Surface Area:12
Heavy Atom Count:9
Complexity:88.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Pharmaceutical intermediate Isoindoline 496-12-8

CAS No.: 496-12-8

Grade: Pharmaceutical Grade

Content: 99%

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