Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Other Chemicals  /  Basic Organic Chemicals  /  Pharmaceuticals and Biochemicals
Benzenesulfonic acid,4-methyl-, 2-[(6-methylimidazo[2,1-b]thiazol-5-yl)methylene]hydrazide structure
Benzenesulfonic acid,4-methyl-, 2-[(6-methylimidazo[2,1-b]thiazol-5-yl)methylene]hydrazide structure

Benzenesulfonic acid,4-methyl-, 2-[(6-methylimidazo[2,1-b]thiazol-5-yl)methylene]hydrazide

Iupac Name:3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CAS No.:25952-53-8
Molecular Weight:191.703
1. Names and Identifiers
1.1 Name
Benzenesulfonic acid,4-methyl-, 2-[(6-methylimidazo[2,1-b]thiazol-5-yl)methylene]hydrazide
1.2 Synonyms

Benzenesulfonicacid, 4-methyl-, [(6-methylimidazo[2,1-b]thiazol-5-yl)methylene]hydrazide(9CI) Imidazo[2,1-b]thiazole, benzenesulfonic acid deriv. NSC 315214

1.3 CAS No.
25952-53-8
1.4 CID
2723939
1.5 EINECS(EC#)
245-024-4
1.6 Molecular Formula
C13H14N2O2S (isomer)
1.7 Inchi
InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
1.8 InChkey
FPQQSJJWHUJYPU-UHFFFAOYSA-N
1.9 Canonical Smiles
CCN=C=NCCCN(C)C.Cl
1.10 Isomers Smiles
CCN=C=NCCCN(C)C.Cl
2. 3D Conformer
3. Properties
3.1 Density
1.41
3.2 Melting Point
110-114℃
3.3 Boiling Point
550°C at 760 mmHg
3.4 Vapour
0.171mmHg at 25°C
3.5 Refractive Index
n20/D 1.461
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S26;S37/39
4.3 Hazard Note
H315; H318; H335
4.4 Transport
OTH
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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.

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

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

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:191.703g/mol
  • Molecular Formula:C13H14N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:191.119
  • Monoisotopic Mass:191.119
  • Complexity:134
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:28A^2
  • Heavy Atom Count:12
  • 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: AAADceBzAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACADBAAQDAAMAAAAg AAAAJAAAAAAAAAAAAAAIAAAAAAAAQAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
8. Question & Answer
  • Overview 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide HCl is Commonly known as EDAC, EDC or EDCI, this carbodiimide HCl salt is used as a coupling reagent in the synthesis of amides and carboxylic esters. EDAC is highly soluble in water and in most organic solvents, it can be employed in liquid an...
9. Recommended Suppliers
Global386SuppliersView all >>
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/04/10
Inquire
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-888888
  • Email:jessica@zhanyaobio.com
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine,hydrochloride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Metric Ton
  • Time: 2021/09/10
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
China factory supply 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride CAS 25952-53-8
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/06/03
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride TOP1 supplier in China CAS NO.25952-53-8
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 60 USD/Kilogram
  • Time: 2021/01/29
Inquire
  • Products:Chemicals ; Health & Medicine
  • Tel:86-152-27811819
  • Email:alina@cnhbmiaobian.com
best price 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine,hydrochloride 25952-53-8
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2020/12/18
Inquire