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1-METHYL-1H-TETRAZOLE

1-METHYL-1H-TETRAZOLE structure

CAS No:
16681-77-9
Formula:
C2H4N4
Chemical Name:
1-METHYL-1H-TETRAZOLE
Synonyms:
1H-tetrazole,1-methyl-;1-Methyltetrazole;N-methyl-1H-tetrazole;N-Methyltetrazole;1-METHYL-1H-TETRAZOLE;1-Methyl-1H-tetrazole(MTZ);1-METHYL-1H-TETRAAZOLE;1-METHYL-1,2,3,4-TETRAZOLE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-METHYL-1H-TETRAZOLE Basic Attributes

Molecular Weight：

84.08

Exact Mass：

84.043596145 g/mol

DSSTox ID：

DTXSID60168195

Characteristics

PSA：

43.6 Å²

Density：

1.40±0.1 g/cm3

Melting Point：

37.0 to 41.0 °C

Boiling Point：

81°C/0.1mmHg(lit.)

PKA：

1.09±0.10

Safety Information

Packing level：

III

Hazard category：

4.1

Transport codes：

UN 1325 4.1/PG III

hazard class code：

36/37/38

safety instructions：

22-24/25

Marks：

GHS Classification：

|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:84.08
XLogP3:-0.4
Hydrogen Bond Acceptor Count:3
Exact Mass:84.043596145
Monoisotopic Mass:84.043596145
Topological Polar Surface Area:43.6
Heavy Atom Count:6
Complexity:44.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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