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1-Isothiocyanato-3-methoxybenzene

1-Isothiocyanato-3-methoxybenzene structure

CAS No:
3125-64-2
Formula:
C8H7NOS
Chemical Name:
1-Isothiocyanato-3-methoxybenzene
Synonyms:
Benzene,1-isothiocyanato-3-methoxy-;Isothiocyanic acid,m-methoxyphenyl ester;1-Isothiocyanato-3-methoxybenzene;m-Methoxyphenyl isothiocyanate;3-Methoxyphenyl isothiocyanate;m-Anisyl isothiocyanate;3-Anisyl isothiocyanate;2124236-51-5
Categories:
Chemical Reagents > Organic Reagents

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Description

clear yellow liquid

1-Isothiocyanato-3-methoxybenzene Basic Attributes

Molecular Weight：

165.21

Exact Mass：

165.21

BRN：

775987

DSSTox ID：

DTXSID10185175

HScode：

2930909090

Characteristics

PSA：

53.7

XLogP3：

2.42950

Appearance：

Pale yellow

Density：

1.145 g/cm³ @ Temp: 30 °C

Boiling Point：

105-106 °C @ Press: 0.45 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.64(lit.)

Water Solubility：

44.61mg/L(25 ºC)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

22-43

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280-P301 + P310

Hazard Statements：

H301-H317

GHS Classification：

|Danger|H301 (89.13%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:165.21
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:165.02483502
Monoisotopic Mass:165.02483502
Topological Polar Surface Area:53.7
Heavy Atom Count:11
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-Isothiocyanato-3-methoxybenzene

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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3-METHOXYPHENYL ISOTHIOCYANATE

CAS No.: 3125-64-2

Content: 99.00%

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Guide of 1-Isothiocyanato-3-methoxybenzene

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
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1-Isothiocyanato-3-methoxybenzene

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