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Home> Hot Product Listed S   > Spiro[cyclopropane-1,2'-[2H]pyrimido[1,2-a]pyrimidine](9CI)
6099-88-3 structure

Spiro[cyclopropane-1,2'-[2H]pyrimido[1,2-a]pyrimidine](9CI)

Iupac Name:1-chloro-2-isothiocyanatoethane
CAS No.:6099-88-3
Molecular Weight:121.582
Molecular Formula:C64H100N18O13S (isomer)
Names and Identifiers
Synonyms

AK460037 AKOS027414503 CTK2H5686 DTXSID60666308 HE386122 spiro[[1,3]diazino[1,2-a]pyrimidine-2,1'-cyclopropane] spiro[cyclopropane-1,2-[2h]pyrimido[1,2-a]pyrimidine] spiro[cyclopropane-1,2-[2h]pyrimido[1,2-a]pyrimidine] (9ci) spiro[cyclopropane-1,2'-pyrimido[1,2-a]pyrimidine]

Inchi
InChI=1S/C3H4ClNS/c4-1-2-5-3-6/h1-2H2
InChkey
ZUWFBQUHBOUPFK-UHFFFAOYSA-N
Canonical Smiles
C(CCl)N=C=S
Properties
Boiling Point
75-77 °C20.6 mm Hg(lit.)
Refractive Index
n20/D 1.556(lit.)
Safety and Handling
Risk Statements
10-20/21/22-36/37/38-42
Safety Statements
26-36
HazardClass
8
PackingGroup
III
Transport
UN 3080 6
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Respiratory sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H332 Harmful if inhaled

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing 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

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

P370+P378 In case of fire: Use ... to extinguish.

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

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

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

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

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.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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:121.582g/mol
  • Molecular Formula:C64H100N18O13S
  • Compound Is Canonicalized:True
  • Exact Mass:120.975
  • Monoisotopic Mass:120.975
  • Complexity:67.2
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:44.4A^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: AAADcYBCAABEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAYAAAAAAAPBAEQAAAIAAAAk AAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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