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benzotriazole-1-carbaldehyde

benzotriazole-1-carbaldehyde structure

CAS No:
72773-04-7
Formula:
C7H5N3O
Chemical Name:
benzotriazole-1-carbaldehyde
Synonyms:
benzotriazolecarbaldehyde; 1h-benzotriazol-1-carbaldehyd; 1-formyl-benzotriazole; 1-Formyl-1H-benzotriazole; N-Formylbenzotriazole; 1H-benzotriazole-1-carboxaldehyde;Expand
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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benzotriazole-1-carbaldehyde Basic Attributes

Molecular Weight：

147.13400

Exact Mass：

147.043261791 g/mol

DSSTox ID：

DTXSID60341906

HScode：

2933990090

Characteristics

PSA：

47.78000

XLogP3：

1.07170

Density：

1.39g/cm3

Melting Point：

90-95ºC

Boiling Point：

314.8ºC

Flash Point：

144.2ºC

Refractive Index：

1.695

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26; S36

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.13
XLogP3:1
Hydrogen Bond Acceptor Count:3
Exact Mass:147.043261791
Monoisotopic Mass:147.043261791
Topological Polar Surface Area:47.8
Heavy Atom Count:11
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 72773-04-7

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CAS No.: 72773-04-7

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