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Home> Hot Product Listed 2   > 2-Pyrrolidinecarboxamide,N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1), (2S)-
107-96-0 structure

2-Pyrrolidinecarboxamide,N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrobromide (1:1), (2S)-

Iupac Name:3-sulfanylpropanoic acid
CAS No.:107-96-0
EINECS(EC#): 240-043-4
Molecular Weight:106.139
Molecular Formula:C14H14O3 (isomer)
Names and Identifiers
Synonyms

(2S)-N-(4-METHYL-2-OXO-CHROMEN-7-YL)-2,3,4,5-TETRAHYDROPYRROLE-2-CARBOXAMIDE 2-Pyrrolidinecarboxamide, N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,monohydrobromide, (S)- 2-Pyrrolidinecarboxamide,N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrobromide, (2S)- (9CI) H-PRO-AMC HBr L-PROLINE 7-AMIDO-4-METHYL-COUMARIN HYDROBROMIDE L-PROLINE 7-AMIDO-4-METHYLCOUMARIN HYDROBROMIDE SALT L-Proline7-amido-4-methycouraminhydrobromidesalt L-PROLINE-7-AMIDO-4-METHYLCOUMARIN HBR L-PROLINE-AMC HBR PROLINE-AMC HBR

Inchi
InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
InChkey
DKIDEFUBRARXTE-UHFFFAOYSA-N
Canonical Smiles
C(CS)C(=O)O
Properties
Appearance
colorless - off-white Powder
Density
1.38
Melting Point
17-19℃
Boiling Point
405.9°Cat760mmHg
Vapour
0.0509mmHg at 25°C
Refractive Index
1.491-1.493
Solubility
Insoluble in water
HS Code
29309070
Storage temp
−20°C
Safety and Handling
Risk Statements
R23/24/25;R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 2922
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 JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Bruno Bock Chemische Fabrik GmbH & Co. KG 2014
DOW BENELUX B.V. 2017
SCAS Europe S.A./N.V. 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Acute toxicity - Oral, Category 3

Skin corrosion, Category 1B

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H290 May be corrosive to metals

H301 Toxic if swallowed

H314 Causes severe skin burns and eye damage

H318 Causes serious eye damage

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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

P390 Absorb spillage to prevent material damage.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

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:106.139g/mol
  • Molecular Formula:C14H14O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:106.009
  • Monoisotopic Mass:106.009
  • Complexity:52.8
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:38.3A^2
  • Heavy Atom Count:6
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBAMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAACACEwACACAAAAgQI AACQCAAAAAAAAAAAAAEAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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