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1,5-Trimethylene-1H-tetrazole

1,5-Trimethylene-1H-tetrazole structure

CAS No:
5817-87-8
Formula:
C4H6N4
Chemical Name:
1,5-Trimethylene-1H-tetrazole
Synonyms:
Trimethylenetetrazol;Trimethylenetetrazole;1,5-Trimethylene-1H-tetrazole;6,7-Dihydro-5H-pyrrolotetrazole

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1,5-Trimethylene-1H-tetrazole Basic Attributes

Molecular Weight：

110.11700

Exact Mass：

110.05900

UNII：

ZA29CWT8TM

NSC Number：

404685|122381

DSSTox ID：

DTXSID10206899

Characteristics

PSA：

43.60000

XLogP3：

-0.6

Density：

1.7g/cm3

Boiling Point：

322.5ºC at 760 mmHg

Flash Point：

148.9ºC

Refractive Index：

1.858

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:110.12
XLogP3:-0.6
Hydrogen Bond Acceptor Count:3
Exact Mass:110.059246208
Monoisotopic Mass:110.059246208
Topological Polar Surface Area:43.6
Heavy Atom Count:8
Complexity:94
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,5-Trimethylene-1H-tetrazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

1,5-Trimethylene-1H-tetrazole

SDS

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