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1005-56-7
???:
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???(??):
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???:
Phenyl chlorothionocarbonate
???(??):
O-Phenyl carbonochloridothioate;PHENYL CHLOROTHIONOFORMATE;O-PHENYL CHLOROTHIONOFORMATE;Phenoxythiocarbonyl chloride;phenylcarbonochloridothioate;phenyl chloromethanethioate;PHENYL THIONOCHLOROFORMATE;phenyl thioxochloroformate;O-phenyl chloromethanethioate;NSC 99103
CBNumber:
CB7480281
???:
C7H5ClOS
??? ??:
172.63
MOL ??:
1005-56-7.mol
MSDS ??:
SDS

???????????? ??

???
51 °C
?? ?
81-83 °C/6 mmHg (lit.)
??
1.248 g/mL at 25 °C (lit.)
???
n20/D 1.581(lit.)
???
179 °F
?? ??
Inert atmosphere,2-8°C
???
?????, ???????? ???
??? ??
??
Specific Gravity
1.248
??
?? ???
???
??? ????
??
Moisture Sensitive
BRN
774830
InChI
InChI=1S/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H
InChIKey
KOSYAAIZOGNATQ-UHFFFAOYSA-N
SMILES
C(Cl)(=S)OC1=CC=CC=C1
CAS ??????
1005-56-7(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? C
?? ???? ?? 34
????? 26-36/37/39-45
????(UN No.) UN 3265 8/PG 2
WGK ?? 3
F ?????? 10-21
?? ?? 8
???? II
HS ?? 29309070
???? ??? 8A - Combustible corrosive hazardous materials
Hazard Classifications Skin Corr. 1B
????(GHS): Corrosion (GHS05)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H314 ??? ?? ??? ?? ??? ??? ????? ?? ????? ?? 1A, B, C ?? P260,P264, P280, P301+P330+ P331,P303+P361+P353, P363, P304+P340,P310, P321, P305+ P351+P338, P405,P501
??????:
P280 ????/???/???/?????? ?????.
P303+P361+P353 ??(?? ????)? ??? ??? ?? ??? ??? ????? ??? ?? ????/?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P363 ?? ??? ??? ??? ?????.
P405 ???? ?????.
NFPA 704
2
3 0

???????????? MSDS


Phenyl chlorothionocarbonate

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CLEAR YELLOW LIQUID

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

Purification Methods

Purify it by dissolving in CHCl3, washing with H2O, drying (CaCl2), filtering, evaporating and distilling twice under a vacuum to give a clear yellow liquid. It is reactive and POISONOUS—work in a fume cupboard. Store it in sealed ampoules under N2. A possible impurity is O,O'-diphenyl thiocarbonate which has m 106o and remains behind in the distilling flask. [B.gemann et al. in Methoden Der Organischen Chemie (Houben-Weyl) 4th edn (E. Müller Ed.) Vol 9 Schwefel-Selen-Tellur Verbindungen pp. 807-808 1955, Rivier & Schalch Helv Chim Acta 6 612 1923, Kalson Chem Ber 20, 2384 1987, Rivier & Richard Helv Chim Acta 8 490 1925, Sch.nberg & Varga Justus Liebigs Ann Chem 483 176 1930, Sch.nberg & Vargha Chem Ber 64 1390 1931, Beilstein 6 III 609.]

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