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5-bromo-1,3-dimethyl-1,2,4-triazole

5-bromo-1,3-dimethyl-1,2,4-triazole structure

CAS No:
56616-96-7
Formula:
C4H6BrN3
Chemical Name:
5-bromo-1,3-dimethyl-1,2,4-triazole
Synonyms:
5-BROMO-1,3-DIMETHYL-1H-1,2,4-TRIAZOLE;56616-96-7;1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-;5-bromo-1,3-dimethyl-1,2,4-triazole;1H-1,2,4-Triazole,5-bromo-1,3-dimethyl-;SCHEMBL22981076;DTXSID60205190;ALBB-021483;ZINC6072134;MFCD22066399;AKOS015997848;LS-06451;Y-8470;5-Bromo-1,3-dimethyl-1H-1,2,4-triazole, AldrichCPR

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5-bromo-1,3-dimethyl-1,2,4-triazole Basic Attributes

Molecular Weight：

176.01 g/mol

Exact Mass：

174.97451 g/mol

DSSTox ID：

DTXSID60205190

Characteristics

PSA：

30.7 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, 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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:176.01
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Exact Mass:174.97451
Monoisotopic Mass:174.97451
Topological Polar Surface Area:30.7
Heavy Atom Count:8
Complexity:87.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-bromo-1,3-dimethyl-1,2,4-triazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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