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2-Chloroethyl phosphoric acid(CAS No. 16672-87-0)

2-Chloroethyl phosphoric acid C2H6ClO3P (cas 16672-87-0) Molecular Structure

16672-87-0 Structure

Identification and Related Records

【Name】
2-Chloroethyl phosphoric acid
【CAS Registry number】
16672-87-0
【Synonyms】
Ethephon
Ethrel
Chlorethephon
Ethephon S.P.
Ethephon aqueous solution (40%)
Ethephonww
【EINECS(EC#)】
240-718-3
【Molecular Formula】
C2H6ClO3P (Products with the same molecular formula)
【Molecular Weight】
144.49
【Inchi】
InChI=1/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
【InChIKey】
UDPGUMQDCGORJQ-UHFFFAOYSA-N
【Canonical SMILES】
C(CCl)P(=O)(O)O
【MOL File】
16672-87-0.mol

Chemical and Physical Properties

【Appearance】
white to beige powder
【Density】
1.568 g/cm3
【Melting Point】
65-75℃
【Boiling Point】
333.4 °C at 760 mmHg
【Vapour】
2.62E-05mmHg at 25°C
【Flash Point】
155.4 °C
【Solubilities】
Very soluble
【Color/Form】
NEEDLES FROM BENZENE
WHITE WAXY SOLID
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:144.494001 [g/mol]
Molecular Formula:C2H6ClO3P
XLogP3-AA:-1
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:143.974308
MonoIsotopic Mass:143.974308
Topological Polar Surface Area:57.5
Heavy Atom Count:7
Formal Charge:0
Complexity:86.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R20/21;R34;R52/53
【Safety Statements 】
S26;S28;S36/37/39;S45;S61
【HazardClass】
6.1
【Safety】

Safety Information about?Ethephon (CAS NO.16672-87-0):
Hazard Codes:?CorrosiveC
Risk Statements: 20/21-34-52/53?
R20/21: Harmful by inhalation and in contact with skin.?
R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R34: Causes burns.
Safety Statements: 26-28-36/37/39-45-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S28: After contact with skin, wash immediately with plenty of soap-suds.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2928 6.1/PG 2
WGK Germany: 2
RTECS: SZ7100000
HazardClass: 6.1
PackingGroup: II

【PackingGroup 】
II
【Sensitive】
Hygroscopic
【Skin, Eye, and Respiratory Irritations】
MAY BE IRRITATING TO EXPOSED SKIN & EYES, OR IF INHALED.
【Transport】
UN 3261
【Fire Potential】
NONFLAMMABLE
【Formulations/Preparations】
Ethrel soluble concentrate (240 or 480 g ai/l); Ethrel C ... ; Cerone, Prep, soluble concentrate (480 g/l); Florel, (40 g/l). Mixtures include: Terpal ... soluble concentrate (ethephon + mepiquat chloride).
【Reactivities and Incompatibilities】
Incompatible with alkaline materials and with solutions containing metal ions, eg iron, zinc, copper, and manganese-containing fungicides.
【Other Preventative Measures】
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Protective Equipment and Clothing】
MAY BE IRRITATING TO EXPOSED SKIN & EYES, OR IF INHALED.
【Specification】

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.?
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Store in a cool, dry place. Store in a tightly closed container. Keep under a nitrogen blanket.

【Disposal Methods】
Recommendable methods: Incineration. Peer-review: Large amt should be incinerated in a unit with effluent gas scrubbing. (Peer-review conclusions of an IRPTC expert consultation (May 1985))

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

CLEAVAGE OF THE BIS(2-CHLOROETHYL) ESTER OF 2-CHLOROETHYL PHOSPHONIC ACID
Ethephon is made from tris(2-chloroethyl) phosphite by rearrangement to bis(2-chloroethyl)2-chloroethyl phosphonate followed by hydrolysis
U.S. Production

(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
【Usage】

Growth regulator.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Any of the hormones produced naturally in plants and active in controlling growth and other functions. There are three primary classes: auxins, cytokinins, and gibberellins.
【Biomedical Effects and Toxicity】
WHEN...FED TO LACTATING COW IN DIET @ 5 PPM, SOME OF DOSE WAS EXCRETED UNCHANGED IN URINE (9.8%), BUT NONE WAS PRESENT IN MILK OR FECES.
WITHIN 12 HR AFTER APPLICATION OF CEPA TO LEAF SURFACES OF APPLE & CHERRY TREES, ETHYLENE WAS DETECTED. CEPA IN LEAVES, HULL, SHELL & KERNEL OF WALNUTS WAS ALSO METABOLIZED.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: In soil, ethephon rapidly undergoes degradation to phosphoric acid, ethylene, and chloride ions.

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