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2,3,4-Trichloroanisole

2,3,4-Trichloroanisole structure

CAS No:
54135-80-7
Formula:
C7H5Cl3O
Chemical Name:
2,3,4-Trichloroanisole
Synonyms:
Benzene,1,2,3-trichloro-4-methoxy-;1,2,3-Trichloro-4-methoxybenzene;2,3,4-Trichloroanisole;1-Methoxy-2,3,4-trichlorobenzene;2,3,4-Trichloroanisol
Categories:
Analytical Chemistry > Standard

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2,3,4-Trichloroanisole Basic Attributes

Molecular Weight：

211.47

Exact Mass：

211.47

EC Number：

258-990-7

DSSTox ID：

DTXSID10202477

Characteristics

PSA：

9.2

XLogP3：

3.95

Density：

1.4±0.1 g/cm3

Melting Point：

69-70 °C

Boiling Point：

261.6±35.0 °C at 760 mmHg

Flash Point：

104.7±26.0 °C

Refractive Index：

1.551

Water Solubility：

10.8mg/L(25 ºC)

Safety Information

Transport codes：

2811

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-24/25-22

Precautionary statement(s)：

P273, P501

Hazard Statements：

H413

GHS Classification：

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Toxicity

Bioconcentration：

912.01

Drug Information

Biological Half-Life：

25.12 Days

Computed Properties

Molecular Weight:211.5
XLogP3:4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:209.940598
Monoisotopic Mass:209.940598
Topological Polar Surface Area:9.2
Heavy Atom Count:11
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes