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Home> Encyclopedia > Hot Product Listed 5   > 5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one,7-chloro-3a,12a-dihydro-3a,4-dihydroxy-6-methoxy-, (3aR,1...
103-65-1 structure

5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one,7-chloro-3a,12a-dihydro-3a,4-dihydroxy-6-methoxy-, (3aR,12aR)- (9CI)

Iupac Name:propylbenzene
CAS No.:103-65-1
EINECS(EC#): 260-500-1
Molecular Weight:120.19158
Molecular Formula:C20H21NO4 (isomer)
Names and Identifiers
Synonyms

5H-Furo[3',2':4,5]furo[3,2-b]xanthen-5-one,7-chloro-3a,12a-dihydro-3a,4-dihydroxy-6-methoxy-, (3aR-cis)- Austocystin G

Inchi
InChI=1/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChkey
ODLMAHJVESYWTB-UHFFFAOYSA-N
Canonical Smiles
CCCC1=CC=CC=C1
Properties
Density
2.31
Melting Point
-99℃
Boiling Point
222.9°Cat760mmHg
Vapour
3.09mmHg at 25°C
Refractive Index
1.49-1.493
HS Code
2902909090
Safety and Handling
Risk Statements
R10;R37;R51/53;R65
Safety Statements
S24;S37;S61;S62
HazardClass
3
PackingGroup
III
Transport
UN 2364
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Aspiration hazard, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H304 May be fatal if swallowed and enters airways

H335 May cause respiratory irritation

H411 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.

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.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

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

P273 Avoid release to the environment.

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

P331 Do NOT induce vomiting.

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

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

P391 Collect spillage.

Storage

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

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:120.19158g/mol
  • Molecular Formula:C20H21NO4
  • XLogP3-AA:3.7
  • Exact Mass:120.0939
  • Monoisotopic Mass:120.0939
  • Complexity:60.4
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:9
  • 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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