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Phenyl chlorothionoformate

Phenyl chlorothionoformate structure

CAS No:
1005-56-7
Formula:
C7H5ClOS
Chemical Name:
Phenyl chlorothionoformate
Synonyms:
Carbonochloridothioic acid,O-phenyl ester;Formic acid,chlorothio-,O-phenyl ester;O-Phenyl chlorothioformate;Phenoxythiocarbonyl chloride;Phenyl chlorothionocarbonate;Phenyl thiochloroformate;Phenyl chlorothionoformate;O-Phenyl carbonochloridothioate;O-Phenyl chlorothionoformate;Phenyl chlorothiocarbonate;Phenyl thionochloroformate;NSC 99103;Phenyl thioxochloroformate;O-Phenyl chlorothiocarbonate;Phenyl chloromethanethioate
Categories:
Chemical Reagents > Organic Reagents

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Phenyl chlorothionoformate Basic Attributes

Molecular Weight：

172.63

Exact Mass：

172.63

BRN：

774830

EC Number：

213-736-4

NSC Number：

99103

DSSTox ID：

DTXSID40143349

HScode：

29309070

Characteristics

PSA：

41.3

XLogP3：

3.3

Appearance：

Clear yellow Liquid

Density：

1.283 g/cm³ @ Temp: 15 °C

Melting Point：

51 °C

Boiling Point：

100 °C @ Press: 15 Torr

Flash Point：

179 °F

Refractive Index：

n20/D 1.581(lit.)

Water Solubility：

Decomposes in water

Storage Conditions：

0-6°C

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 3 notifications to the ECHA C&L Inventory.

Phenyl chlorothionoformate Use and Manufacturing

Phenyl Chlorothionoformate is used in the preparation of an bicyclic thymidine analogs as selective inhibitors of Thymidine monophosphate kinase Mycobacterium tuberculosis (TMPKmt).

Computed Properties

Molecular Weight:172.63
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:171.9749636
Monoisotopic Mass:171.9749636
Topological Polar Surface Area:41.3
Heavy Atom Count:10
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Phenyl chlorothionocarbonate

CAS No.: 1005-56-7

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CAS No.: 1005-56-7

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Guide of Phenyl chlorothionoformate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Phenyl chlorothionoformate

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