5-Cyclopropyl-2H-1,2,3,4-tetraazole - CAS 27943-07-3

Catalog:	BB050534
Product Name:	5-Cyclopropyl-2H-1,2,3,4-tetraazole
CAS:	27943-07-3
Synonyms:	5-Cyclopropyl-2H-1,2,3,4-Tetraazole; 5-cyclopropyl-1H-tetrazole; 5-cyclopropyltetrazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-cyclopropyl-2H-tetrazole
Description:	5-Cyclopropyl-2H-1,2,3,4-tetraazole (CAS# 27943-07-3 ) is a useful research chemical.
Molecular Weight:	110.12
Molecular Formula:	C4H6N4
Canonical SMILES:	C1CC1C2=NNN=N2
InChI:	InChI=1S/C4H6N4/c1-2-3(1)4-5-7-8-6-4/h3H,1-2H2,(H,5,6,7,8)
InChI Key:	JOMBXHCJYIMCPC-UHFFFAOYSA-N
Boiling Point:	284.2±23.0 °C (Predicted)
Melting Point:	152-154 °C
Purity:	95 %
Density:	1.460±0.06 g/cm³(Predicted)
Appearance:	White to off-white solid

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Related Functional Groups

Triazole/Tetrazole

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5-(4-Methoxyphenyl)-2H-tetrazole
[13616-37-0]
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Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
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Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
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Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	90
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.059246208
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.059246208
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0