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3-ACETYLPHENYLISOTHIOCYANATE

3-ACETYLPHENYLISOTHIOCYANATE structure

CAS No:
3125-71-1
Formula:
C9H7NOS
Chemical Name:
3-ACETYLPHENYLISOTHIOCYANATE
Synonyms:
3-Acetylphenyl Isothiocyanate;1-(3-Isothiocyanatophenyl)ethanone;3-Acetylphenylisothiocyanate;1-(3-isothiocyanatophenyl)ethan-1-one;1-(3-isothiocyanato-phenyl)-ethanone;3-acetylbenzenisothiocyanate;ACMC-20anak;3"-Isothiocyanatoacetophenone;SCHEMBL2831122;CTK4G6661

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3-ACETYLPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

177.22

Exact Mass：

177.02500

BRN：

2803021

DSSTox ID：

DTXSID00334377

HScode：

2930909090

Characteristics

PSA：

61.5

XLogP3：

2.62350

Density：

1.2153 (rough estimate)

Melting Point：

26 °C

Boiling Point：

136 °C

Flash Point：

135-136°C/2mm

Refractive Index：

1.648

Water Solubility：

8.33mg/L(25 ºC)

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

hazard class code：

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

Computed Properties

Molecular Weight:177.22
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:177.02483502
Monoisotopic Mass:177.02483502
Topological Polar Surface Area:61.5
Heavy Atom Count:12
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: dipotassium phosphate; potassium sulfide chemical formula; cefepine; formaldehyde structure; bioglutide; baoh2

Guide of 3-ACETYLPHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-ACETYLPHENYLISOTHIOCYANATE

SDS

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