1,2-Phenylene diisothiocyanate
Basic information
- CAS
71105-17-4- Standard SMILES
S=C=Nc1ccccc1N=C=S- InChIKey
RPFLVLIPBDQGAQ-UHFFFAOYSA-N- Molecular formula
- C8H4N2S2
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 191.98159048
Names & identifiers
- Preferred name
- 1,2-Phenylene diisothiocyanate
- IUPAC
- 1,2-diisothiocyanatobenzene
- English name
- 1,2-Phenylene diisothiocyanate
- Molecular formula
- C8H4N2S2
- Molecular weight
- 192.26
Names & synonyms
1,2-Phenylene diisothiocyanate71105-17-4DTXSID10221320RefChem:72122DTXCID10143811RPFLVLIPBDQGAQ-UHFFFAOYSA-N1,2-Diisothiocyanatobenzene1,2-PHENYLENEDIISOTHIOCYANATEMFCD00060366phenylene isothiocyanateSCHEMBL2075541,2-Diisothiocyanatobenzene #
Show more names
1,2-Phenylene diisothiocyateBenzene, 1,2-diisothiocyanato-
SCHEMBL2937405212-PHENYLENE DIISOTHIOCYANATEAKOS006344455F009564
Database identifiers
- CAS
71105-17-4- PubChem CID
- 144459
- DTXSID
DTXSID10221320- EC Number
- 671-321-7
- Nikkaji
- J919.413D
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 56 °C · 56 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2811 · 2811
- HazardClass
- IRRITANT
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
- ridadr
- 2811
- risk_code
- 23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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