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Home> Hot Product Listed 1   > 1,2-Oxathiino[5,6-g]benzothiazole(9CI)
50-21-5 structure

1,2-Oxathiino[5,6-g]benzothiazole(9CI)

Iupac Name:2-hydroxypropanoic acid
CAS No.:50-21-5
Molecular Weight:90.078
Molecular Formula:C17H31N3O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
InChkey
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Canonical Smiles
CC(C(=O)O)O
Properties
Melting Point
18℃
Flash Point
171.6°C
Alpha
-0.05 º (c= neat 25 ºC)
HS Code
29181100
Safety and Handling
Risk Statements
R34;R38;R41
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 1760
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
Galactic 2010
PURAC Biochem 2010
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Serious eye damage, Category 1

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

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:90.078g/mol
  • Molecular Formula:C17H31N3O
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.7
  • Exact Mass:90.032
  • Monoisotopic Mass:90.032
  • Complexity:59.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5A^2
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgAI AACQCAIAAAAAAAAAAAFAAAABEAAAAAAAQAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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