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7-Hydroxyheptanenitrile

7-Hydroxyheptanenitrile structure

CAS No:
17976-80-6
Formula:
C7H13NO
Chemical Name:
7-Hydroxyheptanenitrile
Synonyms:
Heptanenitrile,7-hydroxy-;7-Hydroxyheptanenitrile;ω-Cyano-1-hexanol;6-Cyano-1-hexanol;NSC 87872

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7-Hydroxyheptanenitrile Basic Attributes

Molecular Weight：

127.18400

Exact Mass：

127.18

EC Number：

241-896-5

UNII：

UJ99D58FBB

NSC Number：

87872

DSSTox ID：

DTXSID6066288

HScode：

2926909090

Characteristics

PSA：

44.02000

XLogP3：

1.45278

Density：

0.942g/cm3

Boiling Point：

151 °C @ Press: 14 Torr

Flash Point：

109ºC

Refractive Index：

1.445

Vapor Pressure：

0.00227mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

7-Hydroxyheptanenitrile Use and Manufacturing

Manufacturing Info：

Heptanenitrile, 7-hydroxy-: INACTIVE

Computed Properties

Molecular Weight:127.18
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:127.099714038
Monoisotopic Mass:127.099714038
Topological Polar Surface Area:44
Heavy Atom Count:9
Complexity:92.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-Hydroxyheptanenitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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