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Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester

Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester structure

CAS No:
19339-59-4
Formula:
C9H6ClNOS
Chemical Name:
Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester
Synonyms:
Thiocyanic acid,2-(4-chlorophenyl)-2-oxoethyl ester;Thiocyanic acid,p-chlorophenacyl ester;p-Chlorobenzoylmethyl thiocyanate;1-(4-Chlorophenyl)-2-thiocyanatoethanone;p-Chlorophenacyl thiocyanate;4-Chlorophenacyl thiocyanate;NSC 100737;NSC 45262;1-(4-Chlorophenyl)-2-(cyanosulfanyl)ethan-1-one;2-(4-Chlorophenyl)-2-oxoethyl thiocyanate
Categories:
Chemical Reagents > Organic Reagents

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Description

white to off-white needles or crystals

Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester Basic Attributes

Molecular Weight：

211.67

Exact Mass：

211.67

EC Number：

242-972-0

NSC Number：

100737|45262

DSSTox ID：

DTXSID80172936

HScode：

2930909090

Characteristics

PSA：

66.2

XLogP3：

2.73698

Appearance：

white to off-white needles or crystals

Density：

1.350±0.06 g/cm3(Predicted)

Melting Point：

138.6-139.2 °C

Boiling Point：

381.3±22.0 °C(Predicted)

Flash Point：

184.4ºC

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38-20/21/22

safety instructions：

36/37/39-26

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:211.67
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:210.9858627
Monoisotopic Mass:210.9858627
Topological Polar Surface Area:66.2
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
Learn More Other Chemicals

Thiocyanic acid, 2-(4-chlorophenyl)-2-oxoethyl ester

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