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Home> Hot Product Listed 1   > 1H-Indene-4-carboxylicacid,5-[(1R,2R)-2-carboxy-1-methyl-4-oxocyclohexyl]-1-[(1R)-1,5-dimethylhexyl]...
3282-30-2 structure

1H-Indene-4-carboxylicacid,5-[(1R,2R)-2-carboxy-1-methyl-4-oxocyclohexyl]-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-,(1R,3aS,4S,5S,7aR)-

Iupac Name:2,2-dimethylpropanoyl chloride
CAS No.:3282-30-2
Molecular Weight:120.576
Molecular Formula:C16H14F3N3O2S (isomer)
Names and Identifiers
Synonyms

(1r,3as,7ar)-5-[(1r,2s)-2-carboxy-1-methyl-4-oxocyclohexyl]-7a-methyl-1-[(2r)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylic acid 3-oxo-6,7-seco-5beta-cholestane-6,7-dioic acid 4-Indancarboxylicacid,5-(2-carboxy-1-methyl-4-oxocyclohexyl)-1-(1,5-dimethylhexyl)hexahydro-7a-methyl-(6CI) 6,7-Seco-5b-cholestane-6,7-dioicacid, 3-oxo- (8CI) 6,7-Secocholestane-6,7-dioic acid, 3-oxo-, (5a)- AC1L4WON butenandt's dihydro acid butenandt's dihydroacid CTK4G0828

Inchi
InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3
InChkey
JVSFQJZRHXAUGT-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)C(=O)Cl
Properties
Density
1.29
Melting Point
-56℃
Boiling Point
802.3°Cat760mmHg
Vapour
36 mm Hg ( 20 °C)
Refractive Index
1.411-1.413
Flash Point
255°C
HS Code
29159080
Safety and Handling
Risk Statements
R11;R22;R23;R34
Safety Statements
S16;S26;S28;S36/37/39;S38;S45
HazardClass
6.1
PackingGroup
I
Transport
UN 2438
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 10_100 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2011
CABB GmbH 2010
INTERTEK FRANCE 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Corrosive to metals, Category 1

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H290 May be corrosive to metals

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

H330 Fatal if inhaled

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.

P234 Keep only in original packaging.

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

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.

P390 Absorb spillage to prevent material damage.

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

P330 Rinse mouth.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

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.

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

Storage

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

P406 Store in a corrosion resistant/...container with a resistant inner liner.

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:120.576g/mol
  • Molecular Formula:C16H14F3N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:120.034
  • Monoisotopic Mass:120.034
  • Complexity:80.6
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:7
  • 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: AAADccBgIAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAAAAADgKAgAACAAAAAAAI AEAYAAAAAAAAAAAAAAEAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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