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Home > Encyclopedia > Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester structure

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester 

structure
  • CAS No:

    83056-32-0

  • Formula:

    C10H9NO5S

  • Chemical Name:

    Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester

  • Synonyms:

    Benzoic acid,2-[(isocyanatosulfonyl)methyl]-,methyl ester;Methyl 2-[(isocyanatosulfonyl)methyl]benzoate

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester Basic Attributes

255.24700

255.25

410-900-9

DTXSID5073666

Characteristics

98.25000

1.71960

1.34g/cm3

427.2ºC at 760 mmHg

212.1ºC

1.562

Safety Information

10-14-20-41-42-48/22-68

23-26-36/37/39

Xn

P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P271, P280, P281, P285, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P308+P313, P310, P312, P314, P342+P311, P370+P378, P403+P235, P405, P501

H226

|Danger|H226: Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P271, P280, P281, P285, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P308+P313, P310, P312, P314, P342+P311, P370+P378, P403+P235, P405, and P501|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|Aggregated GHS information provided by 16 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester Use and Manufacturing

Benzoic acid, 2-[(isocyanatosulfonyl)methyl]-, methyl ester: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:255.25
XLogP3:2.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:255.02014356
Monoisotopic Mass:255.02014356
Topological Polar Surface Area:98.2
Heavy Atom Count:17
Complexity:419
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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