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Orbencarb

Orbencarb structure

CAS No:
34622-58-7
Formula:
C12H16ClNOS
Chemical Name:
Orbencarb
Synonyms:
Carbamothioic acid,N,N-diethyl-,S-[(2-chlorophenyl)methyl] ester;Carbamothioic acid,diethyl-,S-[(2-chlorophenyl)methyl] ester;S-(o-Chlorobenzyl) N,N-diethylthiocarbamate;S-2-Chlorobenzyl N,N-diethylthiocarbamate;B 3356;Orthobencarb;Orbencarb
Categories:
Analytical Chemistry > Standard

Description

ChEBI: A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom.

Orbencarb is a monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom. It has a role as a xenobiotic, an environmental contaminant and a herbicide. It is a member of monochlorobenzenes and a monothiocarbamic ester.

Orbencarb Basic Attributes

Molecular Weight：

257.78

Exact Mass：

257.78

EC Number：

609-008-4

UNII：

2AZ38X9JHS

DSSTox ID：

DTXSID0058061

HScode：

2930200014

Characteristics

PSA：

45.6

XLogP3：

4.03500

Appearance：

Colourless liquid

Density：

1.179 g/cm3

Melting Point：

9 °C

Boiling Point：

158 °C

Flash Point：

165.8ºC

Refractive Index：

n20/D 1.60

Water Solubility：

24mg/L(temperature not stated)

Storage Conditions：

0-6°C

Vapor Pressure：

9.30e-05 mmHg

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2902

wgk germany：

hazard class code：

20/22

RTECS Number：

EZ7259400

Marks：

Precautionary statement(s)：

P261-P311

Hazard Statements：

H302-H331

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P301+P312, P304+P340, P311, P321, P330, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Orbencarb Use and Manufacturing

Use Classification：

Agrochemicals -> Herbicides

Computed Properties

Molecular Weight:257.78
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:257.0641130
Monoisotopic Mass:257.0641130
Topological Polar Surface Area:45.6
Heavy Atom Count:16
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes