Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed Z   > ZINC14629885
79983-71-4 structure

ZINC14629885

Iupac Name:2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol
CAS No.:79983-71-4
Molecular Weight:314.21
Molecular Formula:C16H18NO5P (isomer)
Names and Identifiers
Synonyms

AK516190

Inchi
InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
InChkey
STMIIPIFODONDC-UHFFFAOYSA-N
Canonical Smiles
CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O
Properties
Melting Point
111℃
Refractive Index
1.597
Safety and Handling
Risk Statements
R22;R43;R51/53
Safety Statements
S2;S24;S37;S61
Transport
UN3077 9/PG 3
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 79983-71-4 EC: ZINC14629885 ·ECHA C&L Inventory for CAS: CAS: 79983-71-4 EC: ZINC14629885
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, 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

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

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.

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

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

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/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

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

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

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:314.21g/mol
  • Molecular Formula:C16H18NO5P
  • Compound Is Canonicalized:True
  • Exact Mass:313.075
  • Monoisotopic Mass:313.075
  • Complexity:308
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.9A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzIAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIICAAADEbBmCQ3EIYIEgCi AiBDJAASAAswhYAdyAAICoiKLiKBmxGEcAAswAMYmAeQwOAOhAAAAACBAAAIAAAAAQIAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-59721024
  • Fax:86-27-59721024
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-59721024
  • Fax:86-27-59721024
 
<