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3-CYANOCHROMONE

3-CYANOCHROMONE structure

CAS No:
50743-17-4
Formula:
C10H5NO2
Chemical Name:
3-CYANOCHROMONE
Synonyms:
CHROMONE-3-CARBONITRILE;BUTTPARK 29\06-39;LABOTEST-BB LT00160157;3-CYANOCHROMONE;4-OXO-4H-1-BENZOPYRAN-3-CARBONITRILE;4-OXO-4H-CHROMENE-3-CARBONITRILE;3-Cyanochromone,97%;3-CyanochroMone, 97% 5GR
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

light yellow crystalline powder

3-CYANOCHROMONE Basic Attributes

Molecular Weight：

171.15

Exact Mass：

171.03200

DSSTox ID：

DTXSID10334606

HScode：

2926909090

Characteristics

PSA：

50.1

XLogP3：

1.66468

Density：

1.34g/cm3

Melting Point：

174-176 °C(lit.)

Boiling Point：

278.3ºC at 760 mmHg

Flash Point：

119.5ºC

Refractive Index：

1.621

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38-20/21/22-25-20/21

safety instructions：

36/37/39-26-36-45-36/37-24/25

Marks：

Xn,Xi,T

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:171.15
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Exact Mass:171.032028402
Monoisotopic Mass:171.032028402
Topological Polar Surface Area:50.1
Heavy Atom Count:13
Complexity:310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-CYANOCHROMONE

CAS No.: 50743-17-4

Content: 99.00%

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