N-(3-Nitrophenyl)hydrazinecarbothioamide
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Basic information
- CAS
79925-03-4- Standard SMILES
NNC(=S)Nc1cccc([N+](=O)[O-])c1- InChIKey
XGLWDVPGYUSGCU-UHFFFAOYSA-N- Molecular formula
- C7H8N4O2S
- Average molar mass
- 212.23 g/mol
- Monoisotopic mass
- 212.03679668
Names & identifiers
- Preferred name
- N-(3-Nitrophenyl)hydrazinecarbothioamide
- IUPAC
- 1-amino-3-(3-nitrophenyl)thiourea
- English name
- 4-(3-NITROPHENYL)-3-THIOSEMICARBAZIDE
- Molecular formula
- C7H8N4O2S
- Molecular weight
- 212.23
Names & synonyms
79925-03-4N-(3-nitrophenyl)hydrazinecarbothioamideDTXSID50398242RefChem:361480DTXCID803491014-(3-Nitrophenyl)-3-thiosemicarbazide1-amino-3-(3-nitrophenyl)thioureaHydrazinecarbothioamide,N-(3-nitrophenyl)-MFCD000605733-amino-1-(3-nitrophenyl)thioureaSCHEMBL31492044SCHEMBL41971099
Show more names
AKOS015833385SB85934BS-24329DB-056394ST51041942H10900hydrazino[(3-nitrophenyl)amino]methane-1-thioneF018918
Database identifiers
- CAS
79925-03-4- PubChem CID
- 3959463
- DTXSID
DTXSID50398242- EC Number
- 673-707-0
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 161 · 161-163°C (dec.)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- InChI
- 1S/C7H8N4O2S/c8-10-7(14)9-5-2-1-3-6(4-5)11(12)13/h1-4H,8H2,(H2,9,10,14)
- InChIKey
- XGLWDVPGYUSGCU-UHFFFAOYSA-N
- SMILES
- NNC(=S)Nc1cccc(c1)[N+]([O-])=O
- UNSPSC Code
- 12352125 · 12352125
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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