Basic information
- CAS
125488-14-4- Standard SMILES
N#CSCC(=O)c1ccc(Cl)cc1Cl- InChIKey
XYNNFKLKIQXPHS-UHFFFAOYSA-N- Molecular formula
- C9H5Cl2NOS
- Average molar mass
- 246.11 g/mol
- Monoisotopic mass
- 244.94689014
Names & identifiers
- Preferred name
- 2-(2,4-Dichlorophenyl)-2-oxoethyl thiocyanate
- IUPAC
- [2-(2,4-dichlorophenyl)-2-oxoethyl] thiocyanate
- English name
- 2,4-DICHLOROPHENACYL THIOCYANATE
- Molecular formula
- C9H5Cl2NOS
- Molecular weight
- 246.11
Names & synonyms
125488-14-42-(2,4-Dichlorophenyl)-2-oxoethyl thiocyanateDTXSID60559802RefChem:250125DTXCID905105822,4-Dichlorophenacyl thiocyanate1-(2,4-Dichlorophenyl)-2-thiocyanatoethanone[2-(2,4-dichlorophenyl)-2-oxoethyl] thiocyanateThiocyanic acid, 2-(2,4-dichlorophenyl)-2-oxoethyl esterMFCD034531082-(cyanosulfanyl)-1-(2,4-dichlorophenyl)ethan-1-oneSCHEMBL3770989
Show more names
2,4-DICHLOROPHENACYL THIOCYANATE, 95+%
XYNNFKLKIQXPHS-UHFFFAOYSA-NALBB-032202SBB100091AKOS0050731212,4-DICHLOROPHENACYLTHIOCYANATEKA-0706DB-001486CS-0318653
Database identifiers
- CAS
125488-14-4- PubChem CID
- 14397604
- DTXSID
DTXSID60559802
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 100 · 100-102
- Boiling point
- 382.9 · 382.9±32.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers14 total
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海相辉医药科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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