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1-Hydroxycyclopentanecarbonitrile

1-Hydroxycyclopentanecarbonitrile structure

CAS No:
5117-85-1
Formula:
C6H9NO
Chemical Name:
1-Hydroxycyclopentanecarbonitrile
Synonyms:
Cyclopentanecarbonitrile,1-hydroxy-;1-Hydroxycyclopentanecarbonitrile;Cyclopentanone,cyanohydrin;1-Hydroxycyclopentane-1-carbonitrile

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1-Hydroxycyclopentanecarbonitrile Basic Attributes

Molecular Weight：

111.142

Exact Mass：

111.14

EC Number：

610-627-7

DSSTox ID：

DTXSID90199194

HScode：

2926909090

Characteristics

PSA：

44.02000

XLogP3：

-0.27

Density：

1.1±0.1 g/cm3

Boiling Point：

114 °C @ Press: 14 Torr

Flash Point：

102.8±22.6 °C

Refractive Index：

1.492

Safety Information

Precautionary statement(s)：

P260, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, P501

Hazard Statements：

H300

GHS Classification：

|Danger|H300 (96.49%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 57 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:111.14
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:111.068413911
Monoisotopic Mass:111.068413911
Topological Polar Surface Area:44
Heavy Atom Count:8
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Hydroxycyclopentanecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-Hydroxycyclopentanecarbonitrile

SDS

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