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Home> Hot Product Listed C   > CBMICRO_030841
69-09-0 structure

CBMICRO_030841

Iupac Name:3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CAS No.:69-09-0
Molecular Weight:355.321
Molecular Formula:C11H16O2 (isomer)
Names and Identifiers
Synonyms

5-[(pyridin-2-yl)methylidene]-2-sulfanylideneimidazolidin-4-one 5-pyridin-2-ylmethylene-2-thioxo-imidazolidin-4-one AC1MDFUW DTXSID90383091 MCULE-6696019544

Inchi
InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H
InChkey
FBSMERQALIEGJT-UHFFFAOYSA-N
Canonical Smiles
CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
Properties
Melting Point
192-196℃
Refractive Index
1.4436 (20 C)
HS Code
29173980
Safety and Handling
Risk Statements
R25
Safety Statements
28-36/37-45
HazardClass
6.1(b)
PackingGroup
III
Transport
UN 2811 6.1/PG 1
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 69-09-0 EC: CBMICRO_030841 ·ECHA C&L Inventory for CAS: CAS: 69-09-0 EC: CBMICRO_030841
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Inhalation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H330 Fatal if inhaled

Precautionary statement(s)
Prevention

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.

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

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

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

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

P330 Rinse mouth.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

P320 Specific treatment is urgent (see ... on this label).

Storage

P405 Store locked up.

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

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:355.321g/mol
  • Molecular Formula:C11H16O2
  • Compound Is Canonicalized:True
  • Exact Mass:354.072
  • Monoisotopic Mass:354.072
  • Complexity:339
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:31.8A^2
  • Heavy Atom Count:22
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceB7AABGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHAYAAAAACArBUCQywYMAAAiA ACRCQACCAAAhDxAIiBwIZogIIGLh05GEIAhggADoyAcQAAAAAAIAAAIAAQAABAAABAACAAAAAAAA AA==
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