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3-Bromothiophenol

3-Bromothiophenol structure

CAS No:
6320-01-0
Formula:
C6H5BrS
Chemical Name:
3-Bromothiophenol
Synonyms:
Benzenethiol,3-bromo-;Benzenethiol,m-bromo-;3-Bromobenzenethiol;m-Bromobenzenethiol;m-Bromothiophenol;3-Bromothiophenol;NSC 32017;3-Bromobenzene-1-thiol
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colourless to light yellow liquid

3-Bromothiophenol Basic Attributes

Molecular Weight：

189.07

Exact Mass：

189.07

BRN：

1926242

EC Number：

228-664-9

NSC Number：

32017

DSSTox ID：

DTXSID90212559

HScode：

29309070

Characteristics

PSA：

XLogP3：

3.28

Appearance：

White to light beige Crystalline Powder

Density：

1.832

Melting Point：

214-215 °C @ Solvent: Isopropanol

Boiling Point：

119-121 °C @ Press: 20-22 Torr

Flash Point：

105 °C

Refractive Index：

1.632-1.634

Storage Conditions：

Refrigerator

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2811

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant/Stench

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H301 (10.87%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Bromothiophenol Use and Manufacturing

Methods of Manufacturing

It is derived from meta-bromoaniline hydrochloric acid by diazotization and replacement. Add meta-bromoaniline and water into the reaction pot, slowly add concentrated hydrochloric acid dropwise while stirring to dissolve all. Cool to about 0°C, slowly add sodium nitrite solution dropwise, after the addition, keep for 0.5h to obtain the m-bromoaniline diazotization solution for later use. In addition, the potassium ethylxanthogenate aqueous solution was added to the reaction pot, heated to 45-50°C, and the diazonium liquid was slowly added. After the addition, the temperature was maintained for 0.5h. Extract with benzene. After recovering benzene from the extract, add ethanol and potassium hydroxide and stir and reflux for 7 hours. Recover the ethanol to dryness. Use 3.6 times the amount of water to dissolve it. Adjust pH to 4 with dilute sulfuric acid, filter, extract with benzene, and recover. Benzene is distilled under reduced pressure and collected at 120°C (2.93kPa) to obtain the finished product.

Uses

Pharmaceutical intermediates.

Computed Properties

Molecular Weight:189.07
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:187.92953
Monoisotopic Mass:187.92953
Topological Polar Surface Area:1
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Bromothiophenol

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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3-Bromothiophenol

CAS No.: 6320-01-0

Content: 99.00%

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