N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide
Basic information
- CAS
38901-31-4- Standard SMILES
NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
NCYLHRNUKHCMDE-UHFFFAOYSA-N- Molecular formula
- C9H7F6N3S
- Average molar mass
- 303.23 g/mol
- Monoisotopic mass
- 303.02648738
Names & identifiers
- Preferred name
- N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamide
- IUPAC
- 1-amino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
- English name
- 4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE
- Molecular formula
- C9H7F6N3S
- Molecular weight
- 303.23
Names & synonyms
38901-31-4N-(3,5-Bis(trifluoromethyl)phenyl)hydrazinecarbothioamideDTXSID60371187N-[3,5-Bis(trifluoromethyl)phenyl]hydrazinecarbothioamideRefChem:361094DTXCID703222214-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicarbazide1-amino-3-[3,5-bis(trifluoromethyl)phenyl]thioureaMFCD000412924-[3,5-Di(trifluoromethyl)phenyl]-3-thiosemicarbazide4-[3,5-Bis(trifluoromethyl)phenyl]thiosemicarbazideC9H7F6N3S
Show more names
4-[3,5-Bis(trifluoromethyl)phenyl]-3-thio]3,5-BIS(TRIFLUOROMETHYL)PHENYLTHIOSEMICARBAZIDE4-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICABAZIDE4-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicabazide97%4-[3,5-Bis(trifluoromethyl)phenyl]-3-thiosemicabazide 97%
{[3,5-bis(trifluoromethyl)phenyl]amino}hydrazinomethane-1-thioneSCHEMBL5438060NCYLHRNUKHCMDE-UHFFFAOYSA-NSBB017846AKOS015852917SB86131BS-27962DB-049346
Database identifiers
- CAS
38901-31-4- PubChem CID
- 2736182
- DTXSID
DTXSID60371187- EC Number
- 671-107-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 158 · 158-160°C
- Boiling point
- 264.8 · 264.8±50.0 °C(Predicted)
- Density
- 1.567 · 1.567±0.06 g/cm3(Predicted)
- pka
- 10 · 10.00±0.70(Predicted)
- CAS DataBase Reference
- 38901 · 38901-31-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- 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.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (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
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Suppliers
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Related reactions
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Compound notes
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