2-Pentyl-2-methylheptanonitrile

Modify Date: 2025-08-26 17:18:24

2-Pentyl-2-methylheptanonitrile structure	Common Name	2-Pentyl-2-methylheptanonitrile
	CAS Number	49827-48-7	Molecular Weight	195.34400
	Density	0.825g/cm3	Boiling Point	273.3ºC at 760 mmHg
	Molecular Formula	C₁₃H₂₅N	Melting Point	N/A
	MSDS	N/A	Flash Point	103.4ºC

Name	2-methyl-2-pentylheptanenitrile
Synonym	More Synonyms

Density	0.825g/cm3
Boiling Point	273.3ºC at 760 mmHg
Molecular Formula	C₁₃H₂₅N
Molecular Weight	195.34400
Flash Point	103.4ºC
Exact Mass	195.19900
PSA	23.79000
LogP	4.67688
Index of Refraction	1.438

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MJ1300000

CHEMICAL NAME :: 1-Heptanenitrile, 2-methyl-2-pentyl-

CAS REGISTRY NUMBER :: 49827-48-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H25-N

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01342

1-Bromopentane

CAS#:110-53-2

propionitrile

CAS#:107-12-0

~61%

2-Pentyl-2-meth...

CAS#:49827-48-7

Literature: Lortie, Frederic; Boileau, Sylvie; Bouteiller, Laurent Chemistry - A European Journal, 2003 , vol. 9, # 13 p. 3008 - 3014

1-Bromopentane

CAS#:110-53-2

2-methylheptane...

CAS#:54321-41-4

2-Pentyl-2-meth...

CAS#:49827-48-7

Literature: Rojas, Giovanni; Baughman, Travis W.; Wagener, Kenneth B. Synthetic Communications, 2007 , vol. 37, # 22 p. 3923 - 3931

1-Bromopentane

CAS#:110-53-2

2-Pentyl-2-meth...

CAS#:49827-48-7

Literature: Kamata,S. et al. Synthetic Communications, 1973 , vol. 3, p. 265 - 272

2-(tert-butylth...

CAS#:49827-13-6

2-Pentyl-2-meth...

CAS#:49827-48-7

Literature: Kamata,S. et al. Synthetic Communications, 1973 , vol. 3, p. 265 - 272

2-tert-butylsul...

CAS#:49827-22-7

methyl iodide

CAS#:74-88-4

2-Pentyl-2-meth...

CAS#:49827-48-7

Literature: Kamata,S. et al. Synthetic Communications, 1973 , vol. 3, p. 265 - 272

Precursor 4
CAS#:110-53-2 1-Bromopentane CAS#:107-12-0 propionitrile CAS#:54321-41-4 2-methylheptane... CAS#:74-88-4 methyl iodide
DownStream 0

6-cyano-6-methylundecane

2-Pentyl-2-methylheptanonitrile

1-HEPTANENITRILE,2-METHYL-2-PENTYL

Propionitrile,2-dipentyl

Propionitrile,2,2-dipentyl

Undecane,6-cyano-6-methyl

Heptanenitrile,2-methyl-2-pentyl

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Product Name: 2-Pentyl-2-methylheptanonitrile
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Purity: 98.0%
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2-Pentyl-2-methylheptanonitrile

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.