2,4-Dichlorobenzenethiol

HCID 70730
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Basic information

CAS
1122-41-4
Standard SMILES
Sc1ccc(Cl)cc1Cl
InChIKey
FGBVJFREPSJSNG-UHFFFAOYSA-N
Molecular formula
C6H4Cl2S
Average molar mass
179.07 g/mol
Monoisotopic mass
177.94107649

Names & identifiers

Preferred name
2,4-Dichlorobenzenethiol
IUPAC
2,4-dichlorobenzenethiol
English name
2,4-Dichlorothiophenol
Molecular formula
C6H4Cl2S
Molecular weight
179.07

Names & synonyms

2,4-Dichlorobenzenethiol1122-41-4EINECS 214-346-7DTXSID20149945RefChem:443451DTXCID5072436214-346-72,4-Dichlorothiophenol2,4-dichlorobenzene-1-thiolBenzenethiol, 2,4-dichloro-MFCD000414212,4-dichloro thiophenol
Show more names
2,4-DICHLOROTHIOPHEN2,4-Dichloro Thiophenole2,4-Dichlorothiophenol 98%2,4-Dichlorobenzenethiol>2,4-DICHLOROBENZENE-1-THIOL2,4-Dichlorophenylmercaptan2,4-dichlorobenzenethiolate
2,4 dichlorothiophenol2,4-dichlorothio-phenol2,4-dichloro-benzenethiol2,4-Dichlorobenzenethiol #dichlorophenylhydrogen sulfideSCHEMBL194494SCHEMBL1784583SCHEMBL10941299

Database identifiers

CAS
1122-41-4
PubChem CID
70730
DTXSID
DTXSID20149945
EC Number
214-346-7
Nikkaji
J7.266D

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

LogP2.49

Physicochemical properties

Melting point
15 °C · 15°C
Boiling point
60 · 60-62 °C/1.5 mmHg (lit.)
Density
1.418 g/mL · 1.418 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.619(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (13%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
2810
hs_code
29309090
risk_code
36/38
Signal word
Warning

Chemistry & industry

Applications

Uses2,4-Dichlorobenzenethiol (24DBT) may be used in the following:Preparation of hyperbranched poly(phenylene sulfide) (HPPS).Functionalization of printed gold nanoparticle films.To synthesize N,N-dialkyl(aminopropyl)amino diaryl sulphide.

General Description2,4-Dichlorobenzenethiol is a halogenated aromatic thiol.

Upstream & downstream products

Suppliers94 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

78 records
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Compound notes

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