Pentanenitrile,5-chloro-2,2-dimethyl-

Modify Date: 2025-08-25 18:53:18

Pentanenitrile,5-chloro-2,2-dimethyl- Structure
Pentanenitrile,5-chloro-2,2-dimethyl- structure
 Common Name Pentanenitrile,5-chloro-2,2-dimethyl-
CAS Number 4207-54-9 Molecular Weight 145.63000
Density 0.978g/cm3 Boiling Point 227.1ºC at 760mmHg
Molecular Formula C7H12ClN Melting Point N/A
MSDS N/A Flash Point 77.4ºC

 Names

Name 5-chloro-2,2-dimethylpentanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.978g/cm3
Boiling Point 227.1ºC at 760mmHg
Molecular Formula C7H12ClN
Molecular Weight 145.63000
Flash Point 77.4ºC
Exact Mass 145.06600
PSA 23.79000
LogP 2.55518
Index of Refraction 1.439
InChIKey AGJFOWMZIAASOW-UHFFFAOYSA-N
SMILES CC(C)(C#N)CCCCl

 Safety Information

HS Code 2926909090

 Synthetic Route

Isobutyronitrile structure

Isobutyronitrile

CAS#:78-82-0

1-Bromo-3-chloropropane structure

1-Bromo-3-chlor...

CAS#:109-70-6

~99%

Pentanenitrile,5-chloro-2,2-dimethyl- Structure

Pentanenitrile,...

CAS#:4207-54-9

Literature: ARRAY BIOPHARMA INC.; ALLEN, Shelley; BRANDHUBER, Barbara J.; CONDROSKI, Kevin Ronald; HUANG, Lily; KERCHER, Timothy; WINSKI, Shannon L. Patent: WO2014/78408 A1, 2014 ; Location in patent: Paragraph 00488 ;
Isobutyronitrile structure

Isobutyronitrile

CAS#:78-82-0

Lithium dimethylamide structure

Lithium dimethy...

CAS#:3585-33-9

1-Bromo-3-chloropropane structure

1-Bromo-3-chlor...

CAS#:109-70-6

~94%

Pentanenitrile,5-chloro-2,2-dimethyl- Structure

Pentanenitrile,...

CAS#:4207-54-9

Literature: Wong, George S. K. Patent: US2002/13489 A1, 2002 ;
Isobutyronitrile structure

Isobutyronitrile

CAS#:78-82-0

1-Bromo-3-chloropropane structure

1-Bromo-3-chlor...

CAS#:109-70-6

~83%

Pentanenitrile,5-chloro-2,2-dimethyl- Structure

Pentanenitrile,...

CAS#:4207-54-9

Heptanedinitrile, 2,2,6,6-tetramethyl- structure

Heptanedinitril...

CAS#:2941-36-8

Literature: Davis, Matthew C.; Baldwin, Lawrence C. Synthetic Communications, 2010 , vol. 40, # 10 p. 1437 - 1444
N/A structure

N/A

CAS#:54305-91-8

Trimethylsilyl cyanide structure

Trimethylsilyl ...

CAS#:7677-24-9

~69%

Pentanenitrile,5-chloro-2,2-dimethyl- Structure

Pentanenitrile,...

CAS#:4207-54-9

Literature: Reetz, Manfred T.; Chatziiosifidis, Ioannis Angewandte Chemie, 1981 , vol. 93, # 12 p. 1075 - 1076
(2-cyanopropan-2-yl)lithium structure

(2-cyanopropan-...

CAS#:50654-53-0

1-Bromo-3-chloropropane structure

1-Bromo-3-chlor...

CAS#:109-70-6

~%

Pentanenitrile,5-chloro-2,2-dimethyl- Structure

Pentanenitrile,...

CAS#:4207-54-9

Literature: Truce,W.E. et al. Journal of Organic Chemistry, 1962 , vol. 27, p. 2821 - 2828
Isobutyronitrile structure

Isobutyronitrile

CAS#:78-82-0

ALLYL CHLORIDE structure

ALLYL CHLORIDE

CAS#:107-05-1

~%

Pentanenitrile,5-chloro-2,2-dimethyl- Structure

Pentanenitrile,...

CAS#:4207-54-9

Literature: Heberger; Fischer International Journal of Chemical Kinetics, 1993 , vol. 25, # 4 p. 249 - 263

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

5-chloro-2,2-dimethyl-valeronitrile
5-Chloro-2-methylpentacarbonitrile
2,2-dimethyl-5-chlorovaleronitrile
5-Chlor-2,2-dimethyl-valeronitril
5-chloro-2,2-dimethyl-pentane-nitrile
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