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1H-1,2,4-Triazole-5-carbonitrile

1H-1,2,4-Triazole-5-carbonitrile structure

CAS No:
3641-10-9
Formula:
C3H2N4
Chemical Name:
1H-1,2,4-Triazole-5-carbonitrile
Synonyms:
1H-1,2,4-Triazole-5-carbonitrile;s-Triazole-3-carbonitrile;1H-1,2,4-Triazole-3-carbonitrile;3-Cyano-1,2,4-triazole;1,2,4-Triazole-3-carbonitrile;21126-65-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1H-1,2,4-Triazole-5-carbonitrile Basic Attributes

Molecular Weight：

94.075

Exact Mass：

94.07

EC Number：

609-243-2

DSSTox ID：

DTXSID30427509

HScode：

2933990090

Characteristics

PSA：

65.36000

XLogP3：

Density：

1.4±0.1 g/cm3

Melting Point：

187 °C

Boiling Point：

300.0±25.0 °C at 760 mmHg

Flash Point：

109.7±8.3 °C

Refractive Index：

1.554

Safety Information

Transport codes：

UN 3276

hazard class code：

R20/21/22

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, 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, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1H-1,2,4-Triazole-5-carbonitrile Use and Manufacturing

A cyano substituted triazole with inhibitory effects on cathepsin K, 3-cyano-1,2,4-triazole can be used in a study of the electrophilicity and reactivity of diverse nitrile-containing compounds and its correlation to the mechanism-of-action.

Computed Properties

Molecular Weight:94.08
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:94.027946081
Monoisotopic Mass:94.027946081
Topological Polar Surface Area:65.4
Heavy Atom Count:7
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1H-1,2,4-Triazole-5-carbonitrile

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

3-Cyano-1,2,4-triazole

CAS No.: 3641-10-9

Content: 99.00%

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Hangzhou Royalchem Co.,LTD Contact Supplier

CN
1 YR

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Trader Supplier of Pharmaceutical intermediates

3-Cyano-1,2,4-triazole 98.0%Min RC01041

CAS No.: 3641-10-9

Grade: Industrial Grade

Content: 98.0%

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Latest News on 1H-1,2,4-Triazole-5-carbonitrile

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Guide of 1H-1,2,4-Triazole-5-carbonitrile

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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1H-1,2,4-Triazole-5-carbonitrile

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