Basic information
- CAS
5925-82-6- Standard SMILES
CSCc1ccc(Cl)cc1- InChIKey
IXJYIAHRRUZCOB-UHFFFAOYSA-N- Molecular formula
- C8H9ClS
- Average molar mass
- 172.68 g/mol
- Monoisotopic mass
- 172.0113492
Names & identifiers
- Preferred name
- 1-Chloro-4-[(methylthio)methyl]benzene
- IUPAC
- 1-chloro-4-(methylsulfanylmethyl)benzene
- English name
- 4-CHLOROBENZYL METHYL SULFIDE
- Molecular formula
- C8H9ClS
- Molecular weight
- 172.68
Names & synonyms
5925-82-61-Chloro-4-((methylthio)methyl)benzene1-chloro-4-[(methylthio)methyl]benzeneEINECS 227-657-8DTXSID80207979RefChem:75401DTXCID80130470227-657-84-CHLOROBENZYL METHYL SULFIDE(4-Chlorobenzyl)(methyl)sulfane1-chloro-4-(methylsulfanylmethyl)benzeneMFCD00018755
Show more names
4-CHLOROBENZYL METHYL SULPHIDE4-Chlorobenzylmethylsulfide,95%4-CHLOROBENZYL METHYL SULFIDE 95%1-(Methylthiomethyl)-4-chlorobenzene
Benzene, 1-chloro-4-[(methylthio)methyl]-1-chloro-4-[(methylsulfanyl)methyl]benzeneCM3X2RG68Lp-chlorobenzyl methyl sulfideSCHEMBL1145691SCHEMBL1145694SCHEMBL1196527(4-chlorophenyl)methylthiomethane
Database identifiers
- CAS
5925-82-6- PubChem CID
- 80025
- DTXSID
DTXSID80207979- UNII
- CM3X2RG68L
- EC Number
- 227-657-8
- Nikkaji
- J223.889F
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 87.3
Physicochemical properties
- Boiling point
- 128 · 128-129°C 14mm
- FDA UNII
- 3 X2RG68L · CM3X2RG68L
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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