5-methyl-1-(2-methylpropyl)tetrazole

Modify Date: 2026-08-02 16:02:09

5-methyl-1-(2-methylpropyl)tetrazole structure	Common Name	5-methyl-1-(2-methylpropyl)tetrazole
	CAS Number	89534-00-9	Molecular Weight	140.18600
	Density	1.14g/cm3	Boiling Point	277.2ºC at 760 mmHg
	Molecular Formula	C₆H₁₂N₄	Melting Point	N/A
	MSDS	N/A	Flash Point	121.4ºC

Name	5-methyl-1-(2-methylpropyl)tetrazole
Synonym	More Synonyms

Density	1.14g/cm3
Boiling Point	277.2ºC at 760 mmHg
Molecular Formula	C₆H₁₂N₄
Molecular Weight	140.18600
Flash Point	121.4ºC
Exact Mass	140.10600
PSA	43.60000
LogP	0.63750
Index of Refraction	1.568
InChIKey	OUEULNVXHMKTKS-UHFFFAOYSA-N
SMILES	Cc1nnnn1CC(C)C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XF7472220

CHEMICAL NAME :: 1H-Tetrazole, 1-isobutyl-5-methyl-

CAS REGISTRY NUMBER :: 89534-00-9

BEILSTEIN REFERENCE NO. :: 0124088

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H12-N4

MOLECULAR WEIGHT :: 140.22

WISWESSER LINE NOTATION :: T5NNNNJ A1Y1&1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 87,299,1946

Acetamide,N-(2-...

CAS#:1540-94-9

5-methyl-1-(2-m...

CAS#:89534-00-9

Learn More

Literature: Bilhuber Inc. Patent: US2507337 , 1946 ; Full Text Show Details Harvill et al. Journal of Organic Chemistry, 1950 , vol. 15, p. 662,667,668

Precursor 1
CAS#:1540-94-9 Acetamide,N-(2-...
DownStream 0

1H-Tetrazole,1-isobutyl-5-methyl

1-Isobutyl-5-methyl-1H-tetrazole

TT-020

1-Isobutyl-5-methyl-tetrazol

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5-methyl-1-(2-methylpropyl)tetrazole

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.