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3-broMo-5-Methyl-1H-1,2,4-triazole

3-broMo-5-Methyl-1H-1,2,4-triazole structure

CAS No:
26557-90-4
Formula:
C3H4BrN3
Chemical Name:
3-broMo-5-Methyl-1H-1,2,4-triazole
Synonyms:
1H-1,2,4-Triazole,3-bromo-5-methyl; s-Triazole,3-bromo-5-methyl; 3-Brom-5-methyl-1,2,4-triazol;

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3-broMo-5-Methyl-1H-1,2,4-triazole Basic Attributes

Molecular Weight：

161.98800

Exact Mass：

160.95886 g/mol

DSSTox ID：

DTXSID70181133

HScode：

2933990090

Characteristics

PSA：

41.57000

XLogP3：

0.87560

Density：

1.869g/cm3

Boiling Point：

309.2ºC at 760mmHg

Flash Point：

140.8ºC

Refractive Index：

1.593

Vapor Pressure：

0.00065mmHg at 25°C

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.99
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:160.95886
Monoisotopic Mass:160.95886
Topological Polar Surface Area:41.6
Heavy Atom Count:7
Complexity:67.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-broMo-5-Methyl-1H-1,2,4-triazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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