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4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile

4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile structure

CAS No:
5342-96-1
Formula:
C17H17N3O
Chemical Name:
4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile
Synonyms:
Tris(2-cyanoethyl)acetophenone;4-(benzoyl)-4-(2-cyanoethyl)pimelonitrile;4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile;4-(2-cyanoethyl)-4-phenylcarbonyl-heptanedinitrile

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4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile Basic Attributes

Molecular Weight：

279.34

Exact Mass：

279.13700

UNII：

BN8DCS3ZXM

NSC Number：

405546|3685

DSSTox ID：

DTXSID10201586

HScode：

2926909090

Characteristics

PSA：

88.4

XLogP3：

3.76704

Density：

1.118g/cm3

Boiling Point：

571ºC at 760 mmHg

Flash Point：

299.1ºC

Refractive Index：

1.534

Safety Information

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:279.34
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:279.137162174
Monoisotopic Mass:279.137162174
Topological Polar Surface Area:88.4
Heavy Atom Count:21
Complexity:440
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile

SDS

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