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Benzoquinone chlorimine

Benzoquinone chlorimine structure

CAS No:
637-61-6
Formula:
C6H4ClNO
Chemical Name:
Benzoquinone chlorimine
Synonyms:
2,5-Cyclohexadien-1-one,4-(chloroimino)-;p-Benzoquinone imine,N-chloro-;4-(Chloroimino)-2,5-cyclohexadien-1-one;N-Chloro-p-benzoquinonimine;Quinone chlorimide;p-Benzoquinone N-chloroimine;Benzoquinone chlorimine;NSC 448
Categories:
Organic Chemistry > Quinones

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Benzoquinone chlorimine Basic Attributes

Molecular Weight：

141.56

Exact Mass：

141.56

NSC Number：

448

DSSTox ID：

DTXSID6060925

HScode：

2925290090

Characteristics

PSA：

29.4

XLogP3：

1.27630

Density：

1.26g/cm3

Melting Point：

85 °C

Boiling Point：

217.6ºC at 760 mmHg

Flash Point：

93.4ºC

Refractive Index：

1.56

Toxicity：

Oral-Rat LD50: 100 mg/kg; Oral-Mouse LD50: 100 mg/kg

Flammability characteristics：

Combustible; Fire site decomposes toxic nitrogen oxides and chloride fumes

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG III

RTECS Number：

GU5434000

Storage features：

Warehouse low temperature, ventilated, dry

Precautionary statement(s)：

P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Toxicity

Toxicity class：

highly toxic

Benzoquinone chlorimine Use and Manufacturing

Manufacturing Info：

2,5-Cyclohexadien-1-one, 4-(chloroimino)-: INACTIVE

Computed Properties

Molecular Weight:141.55
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Exact Mass:140.9981414
Monoisotopic Mass:140.9981414
Topological Polar Surface Area:29.4
Heavy Atom Count:9
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes