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Basic information
- CAS
7205-90-5- Standard SMILES
ClCSc1ccc(Cl)cc1- InChIKey
XPJUCMIJGVAEGF-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2S
- Average molar mass
- 193.09 g/mol
- Monoisotopic mass
- 191.9567268
Names & identifiers
- Preferred name
- Benzene, 1-chloro-4-((chloromethyl)thio)-
- IUPAC
- 1-chloro-4-(chloromethylsulfanyl)benzene
- English name
- CHLOROMETHYL 4-CHLOROPHENYL SULFIDE
- Molecular formula
- C7H6Cl2S
- Molecular weight
- 193.09
Names & synonyms
7205-90-5Chloromethyl 4-chlorophenyl sulphidep-Chloro-S-chloromethylbenzenethiolThiophenol, p-chloro-S-chloromethylp-Chlorfenyl-chlormethylsulfid1-Chloro-4-(chloromethylthio)benzenep-ChlorfenylmerkaptomethylchloridEINECS 230-578-1p-Chlorfenyl-chlormethylsulfid [Czech]BRN 2043507p-Chlorfenylmerkaptomethylchlorid [Czech]Benzene, 1-chloro-4-((chloromethyl)thio)-
Show more names
HLOROMETHYL 4-CHLOROPHENYL SULFIDEChloromethyl p-chlorophenyl sulfide(p-Chlorophenylthio)methyl chloride(4-Chlorophenyl)thiomethyl chlorideCHLOROMETHYL 4-CHLOROPHENYL SULFIDEChloromethyl-4-chloropheryl sulfide
Benzene, 1-chloro-4-[(chloromethyl)thio]-Thiophenol, p-chloro-S-chloromethyl-4-06-00-01593 (Beilstein Handbook Reference)1-Chloro-4-[(chloromethyl)thio]benzene1-Chloro-4-((chloromethyl)thio)benzeneRefChem:562446230-578-1InChI=1/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H
Database identifiers
- CAS
7205-90-5- PubChem CID
- 23610
- DTXSID
DTXSID0064593- EC Number
- 230-578-1
- Nikkaji
- J54.870G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89
Physicochemical properties
- Melting point
- 21.5 °C · 21.5°C
- Boiling point
- 128 · 128-129 °C/12 mmHg (lit.)
- Density
- 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.6065(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- InChI
- 1S/C7H6Cl2S/c8-5-10-7-3-1-6(9)2-4-7/h1-4H,5H2
- InChIKey
- XPJUCMIJGVAEGF-UHFFFAOYSA-N
- SMILES
- ClCSc1ccc(Cl)cc1
- EPA Substance Registry System
- 4 · Chloromethyl 4-chlorophenyl sulfide (7205-90-5)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.5%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CZ0200000
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-4-[(chloromethyl)thio]-: ACTIVE
Applications
UsesChloromethyl 4-chlorophenyl sulfide was used to study the solvolysis of chloromethyl phenyl sulfide [(phenylthio)methyl chloride] and its p-chloro-derivative in a wide range of hydroxylic solvents. It was used as starting reagent in the synthesis of (4-chlorophenylthio) methyl acetate. It was used as alkylating reagent in microwave-assisted synthesis of 2-amino-imidazo[1,2-a]pyridine derivatives.
Upstream & downstream products
Upstream raw materials
Suppliers28 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Related reactions
8 records
Compound notes
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