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CAS 79-22-1 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 79-22-1
Also known as: 79-22-1, Methyl chlorocarbonate, Methyl carbonochloridate, Chloroformic acid methyl ester, Methoxycarbonyl chloride, Carbonochloridic acid, methyl ester
Molecular Formula
C2H3ClO2
Molecular Weight
94.50  g/mol
InChI Key
XMJHPCRAQCTCFT-UHFFFAOYSA-N
FDA UNII
RC6VA8OB2N

1 2D Structure

CAS 79-22-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl carbonochloridate
2.1.2 InChI
InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
2.1.3 InChI Key
XMJHPCRAQCTCFT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
RC6VA8OB2N
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Methyl Chlorocarbonate

2.3.2 Depositor-Supplied Synonyms

1. 79-22-1

2. Methyl Chlorocarbonate

3. Methyl Carbonochloridate

4. Chloroformic Acid Methyl Ester

5. Methoxycarbonyl Chloride

6. Carbonochloridic Acid, Methyl Ester

7. Methyl Chloridocarbonate

8. Formic Acid, Chloro-, Methyl Ester

9. Metilcloroformiato

10. Methylchloorformiaat

11. Rcra Waste Number U156

12. Chlorocarbonic Acid Methyl Ester

13. Chloroformiate De Methyle

14. Chlorocarbonate De Methyle

15. Chlorameisensaeure Methylester

16. Tl 438

17. Methylester Kyseliny Chlormravenci

18. Methylester Kyseliny Chloruhlicite

19. Rc6va8ob2n

20. Mcf

21. Mfcd00000639

22. K-stoff

23. Methylchloorformiaat [dutch]

24. Metilcloroformiato [italian]

25. Hsdb 1116

26. Chloro(methoxy)methanone

27. Chloroformiate De Methyle [french]

28. Chlorocarbonate De Methyle [french]

29. Methylchloroformate

30. Einecs 201-187-3

31. Unii-rc6va8ob2n

32. Un1238

33. Rcra Waste No. U156

34. Chlorameisensaeure Methylester [german]

35. Brn 0605437

36. Methylester Kyseliny Chlormravenci [czech]

37. Methylester Kyseliny Chloruhlicite [czech]

38. Methylchoroformate

39. Carbonochloridic Acid Methyl Ester

40. Methy Chloroformate

41. Methyl Chloroformat

42. Methyl Choroformate

43. Clcoome

44. Meococl

45. Methyl Chioroformate

46. Methyl-chloroformate

47. Methylchlorocarbonate

48. Methyl Chloroforrnate

49. Clco2me

50. Methyl Chloroform Ate

51. Methoxycarbonylchloride

52. Methylcarbonochloridate

53. Methylchloridocarbonate

54. Ch3ococl

55. Methyl Carbonchloridate

56. Meoc(o)cl

57. Chloroformic Acid Methyl

58. Clco2ch3

59. Chloro-(methoxy)methanone

60. Dsstox_cid_4185

61. Methyl Chloridocarbonate #

62. Ec 201-187-3

63. Methyl Chloroformate, 99%

64. Dsstox_rid_77321

65. Dsstox_gsid_24185

66. Chloro Formic Acid Methyl Ester

67. Chembl3182300

68. Dtxsid0024185

69. Xmjhpcraqctcft-uhfffaoysa-

70. Chlorocarbonic Acid, Methyl Ester

71. Methyl Chlorocarbonate [mi]

72. Methyl Chloroformate [hsdb]

73. Zinc3860600

74. Tox21_200841

75. Bbl011482

76. Stl146594

77. Akos000121088

78. Un 1238

79. Cas-79-22-1

80. Ncgc00248847-01

81. Ncgc00258395-01

82. Bp-31038

83. Methyl Chloroformate [un1238] [poison]

84. Q419678

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 94.50 g/mol
Molecular Formula C2H3ClO2
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass93.9821570 g/mol
Monoisotopic Mass93.9821570 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity42.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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