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4-Bromo-5-phenyl-1H-1,2,3-triazole

4-Bromo-5-phenyl-1H-1,2,3-triazole structure

CAS No:
21505-14-6
Formula:
C8H6BrN3
Chemical Name:
4-Bromo-5-phenyl-1H-1,2,3-triazole
Synonyms:
4-BROMO-5-PHENYL-1H-1,2,3-TRIAZOLE;4-Bromo-5-phenyl-2H-1,2,3-triazole;ACMC-20ammz;4-bromo-5-phenyl-1H-[1,2,3]triazole;4-bromo-5-phenyl-2H-triazole;SCHEMBL3683213;SCHEMBL8214957;CHEMBL1909737;CTK8C5884;DTXSID20679893

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4-Bromo-5-phenyl-1H-1,2,3-triazole Basic Attributes

Molecular Weight：

224.05734

Exact Mass：

222.97500

DSSTox ID：

DTXSID20679893

HScode：

2933990090

Characteristics

PSA：

41.6

XLogP3：

2.23420

Melting Point：

142 - 144 °C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:224.06
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:222.97451
Monoisotopic Mass:222.97451
Topological Polar Surface Area:41.6
Heavy Atom Count:12
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Bromo-5-phenyl-1H-1,2,3-triazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Bromo-5-phenyl-1H-1,2,3-triazole

SDS

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