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1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE

1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE structure

CAS No:
32863-33-5
Formula:
C7H4N2O2
Chemical Name:
1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE
Synonyms:
2,1,3-BENZOXADIAZOLE-5-CARBOXALDEHYDE;2,1,3-BENZOXADIAZOLE-5-CARBALDEHYDE;1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE;CHEMBRDG-BB 4003957;BUTTPARK 154\50-77;2,1,3-Benzoxadiazole-5-carboxaldehyde (9CI);2,1,3-benzoxadiazole-5-carbaldehyde(SALTDATA: FREE);2,1,3-Benzoxadiazole-5-carboxaldehyde 97%

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1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE Basic Attributes

Molecular Weight：

148.12

Exact Mass：

148.027283

DSSTox ID：

DTXSID40379964

HScode：

2934999090

Characteristics

PSA：

XLogP3：

0.6

Density：

1.4±0.1 g/cm3

Melting Point：

58 °C

Boiling Point：

277.3ºC at 760 mmHg

Flash Point：

121.5±25.1 °C

Refractive Index：

1.677

Safety Information

Hazard category：

IRRITANT

safety instructions：

24/25

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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

1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE Use and Manufacturing

Compound 15 (10 g, 0.061 mol) was dissolved in dichloromethane (50 mL). 4-(2, 1, 3-benzoxadiazol-5-yl)-1-methyl-1, 2, 4, 6, 7, 8-hexahydrocyclopenta[b]pyrazolo[4, 3-e]pyridine-3, 5-dione General procedure: Typical procedure for reductive amination with aniline: Aldehyde (1 equiv), NaBH4 (1.5 equiv), and InCl3 (0.15 equiv) were dissolved in anhydrous ACN under N2. Aniline (1.5 equiv) was added and the reaction stirred until completion by TLC (typically ~20 minutes). The reaction was quenched with saturated NH4Cl, taken up in ethyl acetate, washed with brine, dried over MgSO4, concentrated, and purified by column chromatography.

Computed Properties

Molecular Weight:148.12
XLogP3:0.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:148.027277375
Monoisotopic Mass:148.027277375
Topological Polar Surface Area:56
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE

SDS

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