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2,4,5-Trichlorophenol

2,4,5-Trichlorophenol structure

CAS No:
95-95-4
Formula:
C6H3Cl3O
Chemical Name:
2,4,5-Trichlorophenol
Synonyms:
Phenol,2,4,5-trichloro-;2,4,5-Trichlorophenol;Dowicide 2;Preventol I;TCP;2.4,5-Trichlorophenic acid;NSC 2266;77001-45-7
Categories:
Organic Chemistry > Coordination Complexes

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Description

White to pale brown solid

2,4,5-Trichlorophenol Basic Attributes

Molecular Weight：

197.439

Exact Mass：

197.45

EC Number：

202-467-8

HScode：

2908199090

Characteristics

PSA：

20.2

XLogP3：

3.7

Appearance：

2,4,5-trichlorophenol appears as colorless needles, gray flakes or off-white lumpy solid. Phenolic odor. Formerly used as a fungicide and bactericide.

Density：

1.678 g/cm³ @ Temp: 25 °C

Melting Point：

69 °C

Boiling Point：

247 °C @ Press: 760 Torr

Flash Point：

133°C c.c.

Refractive Index：

1.608

Water Solubility：

Solubility in water, g/l at 20°C: 1.2 (poor)

Storage Conditions：

Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Keep in a dry place.

Vapor Pressure：

Vapour pressure, Pa at 25°C: 2.9

Vapor Density：

Relative vapour density (air = 1): 6.8

Toxicity：

Acute oral LD50 for guinea pigs 1,000 mg/kg, mice 600 mg/kg, rats 820 mg/kg (quoted, RTECS, 1985).

Explosive limit：

When heated to decomp, it emits toxic fumes of /hydrogen chloride/and explodes.

Odor：

Strong phenolic odor

Taste：

Taste threshold concentration in water is 1.0 ug/L

PH：

Weak monobasic acid

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

R22;R36/38;R50/53

safety instructions：

S26-S28-S60-S61-S28A-S45-S36/37

RTECS Number：

SN1400000

Marks：

Xn:Harmful;N:Dangerousfortheenvironment;

Storage features：

Separated from strong oxidants and food and feedstuffs. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.

Stability/Shelf Life：

Stable. Note that this material creates dioxin in alkaline media at elevated temperatures.

Precautionary statement(s)：

P273-P301 + P312 + P330-P305 + P351 + P338-P391-P501

Hazard Statements：

H302-H315-H319-H410

2,4,5-Trichlorophenol Use and Manufacturing

2,4,5-Trichlorophenol is used as a broad range pesticide against insects, fungi, vegetation and bacteria. It has become a common environmental contaminant and probable human carcinogen.

Computed Properties

Molecular Weight:197.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:195.924948
Monoisotopic Mass:195.924948
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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