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Home> Hot Product Listed B   > BAS 00865193
88-04-0 structure

BAS 00865193

Iupac Name:4-chloro-3,5-dimethylphenol
CAS No.:88-04-0
Molecular Weight:156.60946
Molecular Formula:C21H17CL2N3O7 (isomer)
Names and Identifiers
Synonyms

2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-[2-(4-fluorophenyl)-2-oxoethylthio]-4-[4-(phenylmethoxy)phenyl]-5,6,7,8-tetr ahydroquinoline-3-carbonitrile 4-(4-(benzyloxy)phenyl)-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile AC1MJYXI AKOS000527033 BG01182723 F0192-0556 MCULE-2733773344 MOLPORT-001-949-305 OPREA1_220778 OPREA1_497555 ST50241761 ZINC6446321

Inchi
InChI=1/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChkey
OSDLLIBGSJNGJE-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=CC(=C1Cl)C)O
Properties
Melting Point
113-116℃
Refractive Index
1.558
HS Code
29081000
Safety and Handling
Risk Statements
R22;R36/38;R43
Safety Statements
S24;S37
Transport
UN 3077
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 INDIVIDUAL 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H317 May cause an allergic skin reaction

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.

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

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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

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:156.60946g/mol
  • Molecular Formula:C21H17CL2N3O7
  • XLogP3-AA:2
  • Exact Mass:156.034193
  • Monoisotopic Mass:156.034193
  • Complexity:104
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • 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
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-21-61124658
  • Fax:86-21-61294103
 
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