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3-Methoxybenzenethiol

3-Methoxybenzenethiol structure

CAS No:
15570-12-4
Formula:
C7H8OS
Chemical Name:
3-Methoxybenzenethiol
Synonyms:
Benzenethiol,3-methoxy-;Benzenethiol,m-methoxy-;3-Methoxybenzenethiol;m-Methoxythiophenol;3-Methoxythiophenol;m-Methoxybenzenethiol;(m-Methoxyphenyl)thiol;3-Mercaptoanisole;3-Methyloxybenzenethiol;3-Methoxybenzene-1-thiol
Categories:
Chemical Reagents > Organic Reagents

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3-Methoxybenzenethiol Basic Attributes

Molecular Weight：

140.20300

Exact Mass：

140.20

EC Number：

239-617-7

DSSTox ID：

DTXSID3074652

HScode：

29309070

Characteristics

PSA：

48.03000

XLogP3：

1.98390

Appearance：

clear colorless to light yellow liquid

Density：

1.13

Melting Point：

264.4-268.3 °C (decomp)

Boiling Point：

224.5 °C

Flash Point：

96ºC

Refractive Index：

1.585-1.589

Storage Conditions：

Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.143mmHg at 25°C

Safety Information

Packing level：

III

Transport codes：

UN 2810

wgk germany：

hazard class code：

R22; R36/37/38

safety instructions：

S26-S37/39

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261; P280; P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332; H315; H319; H335

GHS Classification：

|Danger|H300 (25%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, 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 132 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:140.20
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:140.02958605
Monoisotopic Mass:140.02958605
Topological Polar Surface Area:10.2
Heavy Atom Count:9
Complexity:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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