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Home> Hot Product Listed E   > ETHYLBENZOTHIAZOLYLIDENEMETHYLPROPENYL-&
102-54-5 structure

ETHYLBENZOTHIAZOLYLIDENEMETHYLPROPENYL-&

Iupac Name:cyclopenta-1,3-diene;iron(2+)
CAS No.:102-54-5
Molecular Weight:186.03
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

2-[3-(3-Ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-3-[3-(sulfooxy)butyl]benzothiazolium hydroxide inner salt ETHYLBENZOTHIAZOLYLIDENEMETHYLPROPENYL-S ULFOOXYBUTYLBENZOTHIAZOLIUM OH ethylbenzothiazolylidenemethylpropenyl-sulfooxybu ethylbenzothiazolylidenemethylpropenylsulfooxybutylbenzoth

Inchi
InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
InChkey
KTWOOEGAPBSYNW-UHFFFAOYSA-N
Canonical Smiles
[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
Properties
Melting Point
172-174 °C(lit.)
Vapour
0.03 mm Hg ( 40 °C)
Refractive Index
1.4465 (20 C)
Flash Point
°C
HS Code
29310095
Safety and Handling
Risk Statements
11-22-51/53-2017/11/22
Safety Statements
61-22-24/25
Transport
UN 1325 4.1/PG 2
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Innospec Deutschland GmbH 2013
NetSun EU B.V. 2013
WRT BV 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 1

Acute toxicity - Oral, Category 4

Acute toxicity - Inhalation, Category 4

Reproductive toxicity, Category 1B

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H228 Flammable solid

H302+H332 Harmful if swallowed or if inhaled

H361 Suspected of damaging fertility or the unborn child

H373 May cause damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

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

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P370+P378 In case of fire: Use ... to extinguish.

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

P330 Rinse mouth.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

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:186.03g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:186.013
  • Monoisotopic Mass:186.013
  • Complexity:11.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:11
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADccBwAAAAAAAgAAAAAAAAAAAAAYMAAAAAAAAAAAAAAAABQAAAGAAAAAAACACAEAAwAIAAAACA ACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-371-86658258
  • Fax:86-371-86658258
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  • Tel:86-312-18103315327
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