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4-CHLORO-3-NITROCOUMARIN

4-CHLORO-3-NITROCOUMARIN structure

CAS No:
38464-20-9
Formula:
C9H4ClNO4
Chemical Name:
4-CHLORO-3-NITROCOUMARIN
Synonyms:
4-CHLORO-3-NITRO-2H-CHROMEN-2-ONE;4-CHLORO-3-NITROCOUMARIN;AURORA KA-3227;4-chloro-3-nitro-2-chromenone;4-Chloro-3-nitro-chromen-2-one;4-chloro-3-nitrochromen-2-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-CHLORO-3-NITROCOUMARIN Basic Attributes

Molecular Weight：

225.59

Exact Mass：

224.982880

BRN：

883649

DSSTox ID：

DTXSID40351003

Characteristics

PSA：

72.1

XLogP3：

1.54

Density：

1.6±0.1 g/cm3

Melting Point：

160-164 °C(lit.)

Boiling Point：

338.7±42.0 °C at 760 mmHg

Flash Point：

158.6±27.9 °C

Refractive Index：

1.643

Water Solubility：

Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:225.58
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Exact Mass:224.9828853
Monoisotopic Mass:224.9828853
Topological Polar Surface Area:72.1
Heavy Atom Count:15
Complexity:347
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes