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Home> Hot Product Listed Z   > ZINC22150866
20039-37-6 structure

ZINC22150866

Iupac Name:oxido-(oxido(dioxo)chromio)oxy-dioxochromium;pyridin-1-ium
CAS No.:20039-37-6
Molecular Weight:376.2
Molecular Formula:C21H22N2O5 (isomer)
Names and Identifiers
Synonyms

EN300-84313 MOLPORT-005-216-305 NE50525

Inchi
InChI=1S/2C5H5N.2Cr.7O/c2*1-2-4-6-5-3-1;;;;;;;;;/h2*1-5H;;;;;;;;;/q;;;;;;;;;2*-1/p+2
InChkey
LMYWWPCAXXPJFF-UHFFFAOYSA-P
Canonical Smiles
C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
Properties
Melting Point
152-153 °C(lit.)
Safety and Handling
Risk Statements
49-8-43-50/53-61-60-46-45-20/21/22-40-36/37/38-34-11
Safety Statements
53-45-60-61-37-29-24-17-36/37/39-27-22-26
PackingGroup
II
Transport
UN 1479 5.1/PG 2
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable solids, Category 1

Oxidizing solids, Category 2

Skin corrosion, Category 1B

Carcinogenicity, Category 1B

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H228 Flammable solid

H272 May intensify fire; oxidizer

H314 Causes severe skin burns and eye damage

H350 May cause cancer

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

P240 Ground and bond container and receiving equipment.

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

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

P220 Keep away from clothing and other combustible materials.

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

P264 Wash ... thoroughly after handling.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P273 Avoid release to the environment.

Response

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

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.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P391 Collect spillage.

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:376.2g/mol
  • Molecular Formula:C21H22N2O5
  • Compound Is Canonicalized:True
  • Exact Mass:375.945
  • Monoisotopic Mass:375.945
  • Complexity:225
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:152A^2
  • Heavy Atom Count:21
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADccBzOAAAAACAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHAAQAAAACADBEgQ8gJLJkACg ADBnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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