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2,3-Dichloroanisole

2,3-Dichloroanisole structure

CAS No:
1984-59-4
Formula:
C7H6Cl2O
Chemical Name:
2,3-Dichloroanisole
Synonyms:
Benzene,1,2-dichloro-3-methoxy-;Anisole,2,3-dichloro-;1,2-Dichloro-3-methoxybenzene;2,3-Dichloroanisole;2,3-Dichlorophenyl methyl ether
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white to brownish crystalline low melting solid

2,3-Dichloroanisole Basic Attributes

Molecular Weight：

177.03

Exact Mass：

177.03

BRN：

1909166

EC Number：

217-853-1

DSSTox ID：

DTXSID1062095

HScode：

29093090

Characteristics

PSA：

9.2

XLogP3：

2.9

Density：

1.2970 (rough estimate)

Melting Point：

32 °C

Boiling Point：

115-116°C12mm

Flash Point：

>230 °F

Refractive Index：

1.5430 (estimate)

Water Solubility：

Soluble in water (86.9 mg/L).

Vapor Pressure：

0.144mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/22

safety instructions：

22-24/25-37/39-26

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312

GHS Classification：

|Warning|H302+H312 (33.33%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3-Dichloroanisole Use and Manufacturing

Uses

2,3-Dichloroanisole is a metabolite of pentachlorophenol (P238100) with fungicidal activity. 2,3-Dichloroanisole aling with otherfound in marine sediments.

Manufacturing Info：

Benzene, 1,2-dichloro-3-methoxy-: INACTIVE

Computed Properties

Molecular Weight:177.02
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:175.9795702
Monoisotopic Mass:175.9795702
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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