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Home> Hot Product Listed R   > Riboflavin5'-(trihydrogen diphosphate), 6-thiocyanato-, P'®5'-ester with adenosine (9CI)
79-14-1 structure

Riboflavin5'-(trihydrogen diphosphate), 6-thiocyanato-, P'®5'-ester with adenosine (9CI)

CAS No.:79-14-1
Molecular Weight:76.05136
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

6-thiocyanato-FAD Benzo[g]pteridine,riboflavin 5'-(trihydrogen diphosphate) deriv.

Inchi
InChI=1/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChkey
AEMRFAOFKBGASW-UHFFFAOYSA-N
Canonical Smiles
C(C(=O)O)O
Properties
Melting Point
10℃
Boiling Point
851.4°Cat760mmHg
Refractive Index
n20/D 1.424
Safety and Handling
Risk Statements
R22;R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
Hazard Note
H314; H332
PackingGroup
II
Transport
UN 3265 8/PG 3
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 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CABB GmbH 2012
Chemours Netherlands B.V. 2017
Connect Chemicals Italia S.r.l. 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

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

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

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

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

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

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:76.05136g/mol
  • Molecular Formula:
  • XLogP3-AA:_1.1
  • Exact Mass:76.016044
  • Monoisotopic Mass:76.016044
  • Complexity:40.2
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5
  • Heavy Atom Count:5
  • 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
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