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2,3,6-Trichloroanisole

2,3,6-Trichloroanisole structure

CAS No:
50375-10-5
Formula:
C7H5Cl3O
Chemical Name:
2,3,6-Trichloroanisole
Synonyms:
Benzene,1,2,4-trichloro-3-methoxy-;1,2,4-Trichloro-3-methoxybenzene;2,3,6-Trichloroanisole
Categories:
Analytical Chemistry > Standard

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2,3,6-Trichloroanisole Basic Attributes

Molecular Weight：

211.47

Exact Mass：

211.47

EC Number：

256-561-9

UNII：

4KA09EQ48N

DSSTox ID：

DTXSID60198432

Characteristics

PSA：

9.2

XLogP3：

3.87

Density：

1.4±0.1 g/cm3

Melting Point：

45 °C

Boiling Point：

227 °C

Flash Point：

113 °C

Refractive Index：

1.551

Henrys Law Constant：

2.88e-04 atm-m3/mole

Safety Information

Transport codes：

UN28116.1/PG3

safety instructions：

22-24/25

Toxicity

Bioconcentration：

331.13

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