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1-Ethynyl-2-nitrobenzene

1-Ethynyl-2-nitrobenzene structure

CAS No:
16433-96-8
Formula:
C8H5NO2
Chemical Name:
1-Ethynyl-2-nitrobenzene
Synonyms:
Benzene,1-ethynyl-2-nitro-;1-Ethynyl-2-nitrobenzene;(o-Nitrophenyl)acetylene;(2-Nitrophenyl)acetylene;(2-Nitrophenyl)ethyne;2-Ethynyl-1-nitrobenzene
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Ethynyl-2-nitrobenzene Basic Attributes

Molecular Weight：

147.13100

Exact Mass：

147.13

DSSTox ID：

DTXSID30363458

HScode：

2904209090

Characteristics

PSA：

45.82000

XLogP3：

2.09930

Density：

1.22g/cm3

Melting Point：

79.5-81 °C

Boiling Point：

247.5ºC

Flash Point：

113.2ºC

Refractive Index：

1.579

Vapor Pressure：

0.0403mmHg at 25°C

Safety Information

wgk germany：

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.

Computed Properties

Molecular Weight:147.13
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:147.032028402
Monoisotopic Mass:147.032028402
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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16433-96-8 1-ethynyl-2-nitrobenzene

CAS No.: 16433-96-8

Grade: Industrial Grade

Content: 95%

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