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Home> Hot Product Listed M   > MOLPORT-003-753-403
14643-87-9 structure

MOLPORT-003-753-403

Iupac Name:zinc;prop-2-enoate
CAS No.:14643-87-9
Molecular Weight:207.49
Molecular Formula:C12H16INO2 (isomer)
Names and Identifiers
Synonyms

1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxylic acid AC1Q74KL AKOS000163929 AKOS016902863 EN300-45140 NE24040

Inchi
InChI=1S/2C3H4O2.Zn/c2*1-2-3(4)5;/h2*2H,1H2,(H,4,5);/q;;+2/p-2
InChkey
XKMZOFXGLBYJLS-UHFFFAOYSA-L
Canonical Smiles
C=CC(=O)[O-].C=CC(=O)[O-].[Zn+2]
Properties
Melting Point
250-244℃
Vapour
3.42mmHg at 25°C
Safety and Handling
Risk Statements
21/22-41-50
Safety Statements
S36
HazardClass
9
Transport
UN 3077 9 / PGIII
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 14643-87-9 EC: MOLPORT-003-753-403 ·ECHA C&L Inventory for CAS: CAS: 14643-87-9 EC: MOLPORT-003-753-403
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P271 Use only outdoors or in a well-ventilated area.

Response

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:207.49g/mol
  • Molecular Formula:C12H16INO2
  • Compound Is Canonicalized:True
  • Exact Mass:205.956
  • Monoisotopic Mass:205.956
  • Complexity:50.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.3A^2
  • Heavy Atom Count:11
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcYBgOAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAAACAAAAACI ACDSCAAAAAAAAAAIAAAAAEAABAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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