Basic information
- CAS
4867-37-2- Standard SMILES
CSc1cccc(Cl)c1- InChIKey
PTGSDZVASWKUHK-UHFFFAOYSA-N- Molecular formula
- C7H7ClS
- Average molar mass
- 158.65 g/mol
- Monoisotopic mass
- 157.9956991
Names & identifiers
- Preferred name
- 1-Chloro-3-(methylthio)benzene
- IUPAC
- 1-chloro-3-methylsulfanylbenzene
- English name
- 3-Chlorothioanisole
- Molecular formula
- C7H7ClS
- Molecular weight
- 158.65
Names & synonyms
4867-37-23-Chlorophenyl methyl sulfide3-Cpms1-Chloro-3-(methylthio)benzeneDTXSID50197575RefChem:500507DTXCID101200663-Chlorothioanisole(3-chlorophenyl)(methyl)sulfane1-chloro-3-methylsulfanylbenzene1-Chloro-3-(methylsulfanyl)benzeneMFCD00040127
Show more names
3-Chloro3-Chlorothioanisole97%3-Chlorothioanisole,99%3-Chlorothioanisole 97%3-Chlorothioanisole >3-(Methylthio)chlorobenzene
m-chlorophenyl methyl sulphideBenzene, 1-chloro-3-(methylthio)-PS-62513-Chloro thioanisoleCS-0194910m-chlorothioanisole1-CHLORO-3-METHYLSULFANYL-BENZENEFT-0615534
Database identifiers
- CAS
4867-37-2- PubChem CID
- 97585
- DTXSID
DTXSID50197575- EC Number
- 610-431-1
- Nikkaji
- J344.017F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Boiling point
- 120 °C · 120°C 20mm
- Density
- 1.206 g/mL · 1.206 g/mL at 25 °C(lit.)
- refractive index
- 1.6 · 1.6
- Flash point
- 106 · 106
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.1 · 1.1
- BRN
- 1931485 · 1931485
- CAS DataBase Reference
- 4867 · 4867-37-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Chlorothioanisole(4867-37-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
Warning
H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 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 CategoriesSkin Irrit. 2 (91.1%)
Safety data
- ridadr
- 3334
- hs_code
- 2930909899
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-36/37-36-26
- hazard_class
- STENCH
- Hazard statements
- H227-H302-H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280f-P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers87 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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
2 records
Compound notes
Loading…