Basic information
- CAS
7205-91-6- Standard SMILES
ClCSc1ccccc1- InChIKey
LLSMWLJPWFSMCP-UHFFFAOYSA-N- Molecular formula
- C7H7ClS
- Average molar mass
- 158.65 g/mol
- Monoisotopic mass
- 157.9956989
Names & identifiers
- Preferred name
- Chloromethyl phenyl sulphide
- IUPAC
- chloromethylsulfanylbenzene
- English name
- Chloromethyl phenyl sulfide
- Molecular formula
- C7H7ClS
- Molecular weight
- 158.65
Names & synonyms
Chloromethyl phenyl sulphide[(Chloromethyl)thio]benzeneChloromethylthiobenzene(Phenylthio)methyl chloridePhenyl chloromethyl sulfideSulfide, chloromethyl phenylBenzene, [(chloromethyl)thio]-Benzene, ((chloromethyl)thio)-AI3-26264EINECS 230-579-7NSC 203003DTXSID40222385
Show more names
(chloromethyl)(phenyl)sulfaneChlorothioanisoleα-ChlorothioanisoleALPHA-CHLOROTHIOANISOLEα-Chlorothioanisole >[(chloromethyl)thio]benzenechloromethylsulfanylbenzenechloromethylephenyl sulfide
((Chloromethyl)thio)benzeneRefChem:575895Benzene, (chloromethyl)thio-DTXCID40144876Sulfide, chloromethyl phenyl (8CI)Benzene, ((chloromethyl)thio)-(9CI)230-579-7Chloromethyl phenyl sulfide
Database identifiers
- CAS
7205-91-6- PubChem CID
- 81623
- DTXSID
DTXSID40222385- UNII
- SF6BSS54L2
- EC Number
- 230-579-7
- Nikkaji
- J208.224A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69.3
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 66 °C/0.2 · 66 °C/0.2 mmHg (lit.)
- Density
- 1.184 g/mL · 1.184 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.594(lit.)
- Flash point
- 214 °F · 214 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O · sol most organic solvents; insol H2O
- form
- Liquid
- color
- Clear colorless to pale yellow
- Sensitive
- Stench
- BRN
- 1617369 · 1617369
- InChI
- 1S/C7H7ClS/c8-6-9-7-4-2-1-3-5-7/h1-5H,6H2
- InChIKey
- LLSMWLJPWFSMCP-UHFFFAOYSA-N
- SMILES
- ClCSc1ccccc1
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationBenzene, (chloromethyl)thio-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-13
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- UN 3334
- hs_code
- 29309099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Stench
- safety_code
- 23-24/25
- hazard_class
- 4.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesReagent for the high-yield thiomethylation of O-silylated lactone and ester enolates in the synthesis of α-methylene lactones and esters.1
UsesReagent for the high-yield thiomethylation of O-silylated lactone and ester enolates in the synthesis of α-methylene lactones and esters.
Suppliers83 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
Related reactions
88 records
Compound notes
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