Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed M   > MOLPORT-007-799-993
105-13-5 structure

MOLPORT-007-799-993

Iupac Name:(4-methoxyphenyl)methanol
CAS No.:105-13-5
Molecular Weight:138.16
Molecular Formula:C22H27N3O2 (isomer)
Names and Identifiers
Synonyms

AKOS001999898 F3382-6146 MCULE-3409091413 n-cyclopentyl-1-((3-fluorobenzyl)thio)-5-oxo-4-propyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide n-cyclopentyl-1-[(3-fluorobenzyl)thio]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide ZINC32986123

Inchi
InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChkey
MSHFRERJPWKJFX-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)CO
Properties
Melting Point
22-25 °C(lit.)
Vapour
0.00679mmHg at 25°C
Refractive Index
n20/D 1.544(lit.)
HS Code
29094990
Safety and Handling
Risk Statements
22-36/37/38-63-62-41-37/38-20/21/22
Safety Statements
26-36-45-36/37/39
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 10_100 view >
FULL JOINT 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2014
Symrise Ltd. 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

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

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

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:138.16g/mol
  • Molecular Formula:C22H27N3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.1
  • Exact Mass:138.068
  • Monoisotopic Mass:138.068
  • Complexity:85.3
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^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: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyBoAABgCA AiBCAAACCAAgIAAIiAAGCIgMNiKEMRqAcCAkwBEIuAeA4CwOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • 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:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-83214668
  • Fax:86-27-83214668
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • 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:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-83214668
  • Fax:86-27-83214668
 
<