Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed Z   > ZINC14984879
96-45-7 structure

ZINC14984879

Iupac Name:imidazolidine-2-thione
CAS No.:96-45-7
Molecular Weight:102.155
Molecular Formula:C12H13NO4 (isomer)
Names and Identifiers
Synonyms

5,6-difluoro-2-indole carboxylic acid methyl ester 5,6-difluoro-2-indolecarboxylic acid methyl ester AK356646 AKOS027352240 KB-3355847 methyl 5,6-difluoro-1h-indole-2-carboxylate SCHEMBL16235851 W-3471

Inchi
InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChkey
PDQAZBWRQCGBEV-UHFFFAOYSA-N
Canonical Smiles
C1CNC(=S)N1
Properties
Melting Point
203 deg C
Refractive Index
1.664
HS Code
29332990
Safety and Handling
Risk Statements
R22;R61
Safety Statements
S45;S53
HazardClass
6.1(b)
PackingGroup
III
Transport
25kgs
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  
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
MLPC International 2015
REACH24H CONSULTING GROUP 2017
REACH24H CONSULTING GROUP 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:102.155g/mol
  • Molecular Formula:C12H13NO4
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.7
  • Exact Mass:102.025
  • Monoisotopic Mass:102.025
  • Complexity:63.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:56.2A^2
  • Heavy Atom Count:6
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADcYBDAABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAQQAAAAAADBAAQBAALAAAAE AAAAAAAAAAAAAAkAAIAIAACAQAAAAAAQAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-523-87558858
  • Fax:86-523-87558858
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-61188083
  • Fax:86-27-61188083
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-85613400
  • Fax:86-27-85613419
  • Tel:86-158-02717655
  • Fax:86-158-02717655
  • Tel:86-392-2632999
  • Fax:86-0392-2288878
Recommended Suppliers
  • Tel:86-523-87558858
  • Fax:86-523-87558858
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-61188083
  • Fax:86-27-61188083
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-27-85613400
  • Fax:86-27-85613419
  • Tel:86-158-02717655
  • Fax:86-158-02717655
  • Tel:86-392-2632999
  • Fax:86-0392-2288878
 
<