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Home> Hot Product Listed Z   > ZINC20085398
24280-93-1 structure

ZINC20085398

Iupac Name:(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
CAS No.:24280-93-1
Molecular Weight:320.341
Molecular Formula:C13H21N (isomer)
Names and Identifiers
Synonyms

AJ-76045 AK152352 AKOS005137019 AX8288767 BB_SC-8975 BBL031857 MOLPORT-005-992-738 n-[(1,3,5-trimethyl-1h-pyrazol-4-yl)methyl]aniline STK929011

Inchi
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
InChkey
HPNSFSBZBAHARI-RUDMXATFSA-N
Canonical Smiles
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC
Isomers Smiles
CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)O)OC
Safety and Handling
Risk Statements
R22
Safety Statements
53-45-36/37
PackingGroup
III
Transport
2811
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 JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Biesterfeld Spezialchemie GmbH 2010
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2016
Lek Pharmaceuticals d.d. 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Germ cell mutagenicity, Category 2

Reproductive toxicity, Category 1B

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H341 Suspected of causing genetic defects

H360 May damage fertility or the unborn child

H372 Causes damage to organs through prolonged or repeated exposure

H400 Very toxic to aquatic life

H410 Very 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.

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.

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

P273 Avoid release to the environment.

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.

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:320.341g/mol
  • Molecular Formula:C13H21N
  • Compound Is Canonicalized:True
  • Exact Mass:320.126
  • Monoisotopic Mass:320.126
  • Complexity:486
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:93.1A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBAAAAGgAACAAADASgmAICDoAABgCI AiDSCAACCAAkIAAAiAEECMgMJzaGNRqCcWAl4BUIuQfK7PzO4AADCAAYAADAAAYQADAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-83214668
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