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4,4'-Diacetylbiphenyl

4,4'-Diacetylbiphenyl structure

CAS No:
787-69-9
Formula:
C16H14O2
Chemical Name:
4,4'-Diacetylbiphenyl
Synonyms:
BIS-ACETOPHENONE;4'-Diacetylbiphenyl;4,4'-DIACETYLBIPHENYL;4',4''-BIACETOPHENONE;p,p'-Diacetyldiphenyl;4,4'-Diacetylbiphenyl 98%;4,4'-Diacetylbiphenyl,98%;4,4'-Diacetylbiphenyl ,99%;4,4'-Diacetyl-1,1'-biphenyl;Daclatasvir Intermediates 1
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

White solid

4,4'-Diacetylbiphenyl Basic Attributes

Molecular Weight：

238.28

Exact Mass：

238.099380

EC Number：

1592732-453-0

NSC Number：

179421

DSSTox ID：

DTXSID80306719

HScode：

29173990

Characteristics

PSA：

34.1

XLogP3：

3.7

Appearance：

Colorless to light tan Crystalline Powder

Density：

1.1±0.1 g/cm3

Melting Point：

193-195 °C(lit.)

Boiling Point：

386.5ºC at 760 mmHg

Flash Point：

144.9±17.9 °C

Refractive Index：

1.565

Safety Information

Hazard category：

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

50/53-36/37/38-20/21/22

safety instructions：

60-61-36/37/39-26-37/39-36

Marks：

N,Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P273

Hazard Statements：

H400

GHS Classification：

|Warning|H315 (11.76%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4,4'-Diacetylbiphenyl Use and Manufacturing

Intermediates of Liquid Crystals

Computed Properties

Molecular Weight:238.28
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:238.099379685
Monoisotopic Mass:238.099379685
Topological Polar Surface Area:34.1
Heavy Atom Count:18
Complexity:273
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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