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Home> Hot Product Listed T   > T6514974
18978-78-4 structure

T6514974

Iupac Name:2-methylquinolin-8-amine
CAS No.:18978-78-4
Molecular Weight:158.204
Molecular Formula:C17H21N7 (isomer)
Names and Identifiers
Synonyms

2-{[4,5-bis(thiophen-2-yl)-1h-imidazol-2-yl]sulfanyl}-n-(prop-2-en-1-yl)propanamide MCULE-3319571082 MOLPORT-009-389-316 Z113385366

Inchi
InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3
InChkey
JHIAOWGCGNMQKA-UHFFFAOYSA-N
Canonical Smiles
CC1=NC2=C(C=CC=C2N)C=C1
Properties
Melting Point
56-58℃
Vapour
0.000405mmHg at 25°C
Refractive Index
1.681
HS Code
29334900
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
22-36/37/39
HazardClass
IRRITANT
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 INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Petrex GmbH 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin sensitization, Category 1

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)

H301 Toxic if swallowed

H317 May cause an allergic skin reaction

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.

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

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

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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

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

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

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:158.204g/mol
  • Molecular Formula:C17H21N7
  • Compound Is Canonicalized:True
  • XLogP3-AA:2
  • Exact Mass:158.084
  • Monoisotopic Mass:158.084
  • Complexity:158
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.9A^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:1
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAQAAAADAiBHgAywPJIEACg AyRiRACCgCAhEiAImCAwdJgIYOLAkZGUIAhgkADIyAcQgIAOAAAAQAACACAAAACAAAQAQAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
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  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
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  • Tel:86-21-61723543
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