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Home> Hot Product Listed 3   > 3-[[[(2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
540-69-2 structure

3-[[[(2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID

Iupac Name:azanium;formate
CAS No.:540-69-2
Molecular Weight:63.056
Molecular Formula:C18H17CLN2O4S (isomer)
Names and Identifiers
Synonyms

3-({[(2-methoxybenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid 3-({[(2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid 3-[(2-methoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid AC1LFEZ2 AKOS000108655 BENZOIC ACID, 3-[[[(2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL- CHEMBL1563985 DTXSID80355464 HMS2626J14 MLS000690656 MOLPORT-000-999-044 OPREA1_686129 smr000298913 STK096883 STOCK3S-71551 ZINC309389

Inchi
InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
InChkey
VZTDIZULWFCMLS-UHFFFAOYSA-N
Canonical Smiles
C(=O)[O-].[NH4+]
Properties
Melting Point
115-120℃
Flash Point
69.5°C
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
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MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:63.056g/mol
  • Molecular Formula:C18H17CLN2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:63.032
  • Monoisotopic Mass:63.032
  • Complexity:7.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.1A^2
  • Heavy Atom Count:4
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcYACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAQAAAAAAAAAAMACAAAAAAI AAAAiAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-523-87588858
  • Fax:86-523-87558858
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
 
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