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2,1,3-Benzoxadiazole

2,1,3-Benzoxadiazole structure

CAS No:
273-09-6
Formula:
C6H4N2O
Chemical Name:
2,1,3-Benzoxadiazole
Synonyms:
2,1,3-Benzoxadiazole;Benzofurazan;2-Oxa-1,3-diaza-2H-isoindene;Benzo-2,1,3-oxadiazole;Benzo[c][1,2,5]oxadiazole
Categories:
Specialty Chemicals

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2,1,3-Benzoxadiazole Basic Attributes

Molecular Weight：

120.11

Exact Mass：

120.11

BRN：

112261

EC Number：

-0

DSSTox ID：

DTXSID00181742

HScode：

2934999090

Characteristics

PSA：

38.9

XLogP3：

1.7

Density：

1.1550 g/cm³ @ Temp: 65 °C

Melting Point：

53 °C

Boiling Point：

75-85 °C20 mm Hg(lit.)

Flash Point：

76 °C

Refractive Index：

1.620

Vapor Pressure：

0.929mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

22-36/37/38-20/21/22

safety instructions：

22-24/25-36/37/39-26

RTECS Number：

DM2580000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

benzofurazan

Computed Properties

Molecular Weight:120.11
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Exact Mass:120.032362755
Monoisotopic Mass:120.032362755
Topological Polar Surface Area:38.9
Heavy Atom Count:9
Complexity:95.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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