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Home> Hot Product Listed M   > MLS000086345
92-05-7 structure

MLS000086345

Iupac Name:4-phenylbenzene-1,2-diol
CAS No.:92-05-7
Molecular Weight:186.2066
Molecular Formula:C26H28N4OS (isomer)
Names and Identifiers
Synonyms

4-((2-ethylpiperidin-1-yl)sulfonyl)-n-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide 4-(2-ethylpiperidin-1-yl)sulfonyl-n-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide 4-(2-ethylpiperidino)sulfonyl-n-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]benzamide 4-[(2-ethyl-1-piperidinyl)sulfonyl]-n-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide 4-[(2-ethylpiperidin-1-yl)sulfonyl]-n-(5-thien-2-yl-1,3,4-oxadiazol-2-yl)benzamide AC1MMKH8 AKOS024583751 bdbm76938 CHEMBL1384524 cid_3240162 F0559-0359 HMS2341C19 MCULE-4281904657 MOLPORT-003-026-073 NCGC00043897-02 OPREA1_515329 REGID_FOR_CID_3240162 smr000021847

Inchi
InChI=1/C12H10O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,13-14H
InChkey
QDNPCYCBQFHNJC-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=CC(=C(C=C2)O)O
Properties
Refractive Index
1.639
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, 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)

H302 Harmful if swallowed

H318 Causes serious eye damage

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.

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/…

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:186.2066g/mol
  • Molecular Formula:C26H28N4OS
  • XLogP3-AA:2.6
  • Exact Mass:186.06808
  • Monoisotopic Mass:186.06808
  • Complexity:175
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:14
  • 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
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