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Home> Hot Product Listed U   > UPCMLD0ENAT5950415:001
1139-46-4 structure

UPCMLD0ENAT5950415:001

Iupac Name:4-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CAS No.:1139-46-4
Molecular Weight:222.32328
Molecular Formula:C21H22N6O2S (isomer)
Names and Identifiers
Synonyms

MCULE-8236785924 MOLPORT-005-759-795 n-[1-(4-methanesulfonylphenyl)ethyl]-3-methyl-2,3,4,9-tetrahydro-1h-carbazole-6-carboxamide n-[1-(4-methanesulfonylphenyl)ethyl]-6-methyl-6,7,8,9-tetrahydro-5h-carbazole-3-carboxamide T5950415 Z131457758

Inchi
InChI=1/C14H22O2/c1-13(2,3)9-14(4,5)10-6-7-11(15)12(16)8-10/h6-8,15-16H,9H2,1-5H3
Canonical Smiles
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)O
Properties
Vapour
6.07E-05mmHg at 25°C
Refractive Index
1.522
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1139-46-4 EC: UPCMLD0ENAT5950415:001 ·ECHA C&L Inventory for CAS: CAS: 1139-46-4 EC: UPCMLD0ENAT5950415:001
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

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

P273 Avoid release to the environment.

Response

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/\u2026

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:222.32328g/mol
  • Molecular Formula:C21H22N6O2S
  • XLogP3-AA:4.4
  • Exact Mass:222.16198
  • Monoisotopic Mass:222.16198
  • Complexity:227
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:16
  • 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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