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3,4-DIMETHOXYTHIOPHENOL

3,4-DIMETHOXYTHIOPHENOL structure

CAS No:
700-96-9
Formula:
C8H10O2S
Chemical Name:
3,4-DIMETHOXYTHIOPHENOL
Synonyms:
4-MERCAPTOVERATROL;4-MERCAPTOVERATROLE;3,4-DIMETHOXYTHIOPHE;3,4-DIMETHOXYTHIOPHENOL;3,4 Dimethoxy Thiophenole;3,4-DIMETHOXYBENZENETHIOL;3,4-DIMETHOXYPHENYLMERCAPTAN;3,4-Dimethoxythiophenol ,98%;3,4-dimethoxybenzene-1-thiol;3,4-Dimethoxythiophenol4-Mercaptoveratrole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLORLESS TO YELLOW LIQUID

3,4-DIMETHOXYTHIOPHENOL Basic Attributes

Molecular Weight：

170.226

Exact Mass：

170.040146

NSC Number：

522168

DSSTox ID：

DTXSID10220272

HScode：

2930909090

Characteristics

PSA：

19.5

XLogP3：

2.38

Appearance：

CLEAR COLORLESS TO YELLOW LIQUID

Density：

1.1±0.1 g/cm3

Melting Point：

99-100 °C

Boiling Point：

262.9±20.0 °C at 760 mmHg

Flash Point：

112.8±21.8 °C

Refractive Index：

1.550

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

R20/21/22;R36/38

safety instructions：

S36/37/39-S26

Marks：

Xn: Harmful;

Precautionary statement(s)：

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

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:170.23
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:170.04015073
Monoisotopic Mass:170.04015073
Topological Polar Surface Area:19.5
Heavy Atom Count:11
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,4-DIMETHOXYTHIOPHENOL

CAS No.: 700-96-9

Grade: industrial Grade

Content: 98%

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