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Home> Hot Product Listed M   > MOLPORT-004-026-922
1072-63-5 structure

MOLPORT-004-026-922

CAS No.:1072-63-5
Molecular Weight:94.11454
Molecular Formula:C15H16CLNO3 (isomer)
Names and Identifiers
Synonyms

2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone 2-{[1-(3-methylphenyl)-1h-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one AC1MSTHP MCULE-9918367434 Z24793931 ZINC5694706

Inchi
InChI=1/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
InChkey
OSSNTDFYBPYIEC-UHFFFAOYSA-N
Canonical Smiles
C=CN1C=CN=C1
Properties
Melting Point
78-79℃
Vapour
0.506mmHg at 25°C
Refractive Index
n20/D 1.533(lit.)
HS Code
2933290090
Safety and Handling
Risk Statements
R22;R34;R41
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 3267 8/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Reproductive toxicity, Category 1B

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

H360 May damage fertility or the unborn child

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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if 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/\u2026

P308+P313 IF exposed or concerned: Get medical advice/ attention.

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:94.11454g/mol
  • Molecular Formula:C15H16CLNO3
  • XLogP3-AA:0.5
  • Exact Mass:94.053098
  • Monoisotopic Mass:94.053098
  • Complexity:70.5
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:17.8
  • Heavy Atom Count:7
  • 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:86-571-88938639
  • Fax:86-571-88938652
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  • Fax:86-571-85829153
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • 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:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-87465837
  • Fax:86-27-87772287
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