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Home> Hot Product Listed P   > Proline,1-[(4-chlorophenyl)methyl]-5-imino-, methyl ester, monohydrochloride (9CI)
445-27-2 structure

Proline,1-[(4-chlorophenyl)methyl]-5-imino-, methyl ester, monohydrochloride (9CI)

Iupac Name:1-(2-fluorophenyl)ethanone
CAS No.:445-27-2
Molecular Weight:138.138983
Molecular Formula:C13H17N5O8S2 (isomer)
Names and Identifiers
Synonyms

1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride 2-Pyrrolidinecarboxylic acid, 1-(p-chlorobenzyl)-5-imino-, methyl ester, hydrochloride AC1NX5FH LS-137444 methyl 1-[(4-chlorophenyl)methyl]-5-iminopyrrolidine-2-carboxylate hydrochloride

Inchi
InChI=1/C8H7FO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChkey
QMATYTFXDIWACW-UHFFFAOYSA-N
Canonical Smiles
CC(=O)C1=CC=CC=C1F
Properties
Melting Point
26-27C
Vapour
0.0426mmHg at 25°C
Refractive Index
1.507-1.509
Flash Point
378.8°C
HS Code
29147090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
Transport
UN 2810
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

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.

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

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:138.138983g/mol
  • Molecular Formula:C13H17N5O8S2
  • XLogP3-AA:1.6
  • Exact Mass:138.048093
  • Monoisotopic Mass:138.048093
  • Complexity:133
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:17.1
  • 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:86-571-88938639
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  • Fax:86-571-85829153
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
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