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Home> Hot Product Listed S   > STK269913
91-22-5 structure

STK269913

Iupac Name:quinoline
CAS No.:91-22-5
Molecular Weight:129.162
Molecular Formula:C13H8BRFN2O3 (isomer)
Names and Identifiers
Synonyms

(2,4-dichlorophenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate 2,4-dichlorophenyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate AC1M15HF AK297754 AKOS001029602 MOLPORT-001-528-577 ZINC2578189

Inchi
InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChkey
SMWDFEZZVXVKRB-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=CC=N2
Properties
Refractive Index
1.623-1.626
Safety and Handling
Risk Statements
R21/22;R37/38;R40;R41;R68
Safety Statements
S26;S36/37/39
PackingGroup
III
Transport
UN 2656
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 >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
CellMark Deutschland GmbH 2015
DKSH France S.A. 2013
DSM Nutritional Products GmbH 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Germ cell mutagenicity, Category 2

Carcinogenicity, Category 1B

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H341 Suspected of causing genetic defects

H350 May cause cancer

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P201 Obtain special instructions before use.

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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

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

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

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

P332+P313 If skin irritation 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.

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

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:129.162g/mol
  • Molecular Formula:C13H8BRFN2O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:129.058
  • Monoisotopic Mass:129.058
  • Complexity:111
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12.9A^2
  • Heavy Atom Count:10
  • 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: AAADcYByAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAAAAAADAjBHgQ8wPIIEACg AzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-512-63009836
  • Fax:86-512-63006936
  • Tel:+86-571-85134551
  • Fax:
 
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