Basic information
- CAS
206559-58-2- Standard SMILES
NNC(=S)Nc1ccc(F)cc1F- InChIKey
RNPFEUCQZZXGCF-UHFFFAOYSA-N- Molecular formula
- C7H7F2N3S
- Average molar mass
- 203.21 g/mol
- Monoisotopic mass
- 203.03287473
Names & identifiers
- Preferred name
- 4-(2,4-Difluorophenyl)-3-thiosemicarbazide
- IUPAC
- 1-amino-3-(2,4-difluorophenyl)thiourea
- English name
- 4-(2,4-Difluorophenyl)-3-thiosemicarbazide
- Molecular formula
- C7H7F2N3S
- Molecular weight
- 203.21
Names & synonyms
4-(2,4-Difluorophenyl)-3-thiosemicarbazideRefChem:510734671-118-3206559-58-2N-(2,4-difluorophenyl)hydrazinecarbothioamide1-amino-3-(2,4-difluorophenyl)thioureaHydrazinecarbothioamide, N-(2,4-difluorophenyl)-3-amino-1-(2,4-difluorophenyl)thioureaMFCD00060563C7H7F2N3S[(2,4-difluorophenyl)amino]hydrazinomethane-1-thioneorb3031043
Show more names
JS-1962ZINC000395694-(2,4-Difluorophenyl)-3-thiosemicarbazide97%N-(2,4-DIFLUOROPHENYL)-1-HYDRAZINECARBOTHIOAMIDE
SCHEMBL28563284DTXSID40350293Fr12992ALBB-002827BBL017039SBB017760STK439788AKOS000116182
Database identifiers
- CAS
206559-58-2- PubChem CID
- 676451
- DTXSID
DTXSID40350293- EC Number
- 671-118-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 172 · 172-174°C
- Boiling point
- 268.7 · 268.7±50.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
- pka
- 9.98 · 9.98±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335
- Precautionary statements
- 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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.
GHS classification
GHS Classification
Danger
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95%)
Safety data
- hs_code
- 2930909899
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335
- Precautionary statements
- P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
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]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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