CAS 79-22-1

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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 Formula	C₂H₃ClO₂
Molecular Weight	94.50 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	93.9821570 g/mol
Monoisotopic Mass	93.9821570 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	42.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1