Completing data — usually done within a minute
Basic information
- Standard SMILES
Cc1cc(C)cc(N=C=S)c1- InChIKey
DSMXCADWIFIJEX-UHFFFAOYSA-N- Molecular formula
- C9H9NS
- Average molar mass
- 163.245 g/mol
- Monoisotopic mass
- 163.04557029
Names & identifiers
- Preferred name
- 3,5-Dimethylphenyl isothiocyanate
- IUPAC
- 1-Isothiocyanato-3,5-dimethylbenzene
- English name
- 3,5-Dimethylphenyl isothiocyanate
- Molecular formula
- C9H9NS
- Molecular weight
- 163.24
Names & synonyms
3,5-Dimethylphenyl isothiocyate3,5-Dimethylphenyl isothiocyanat3,5-Dimethylphenyl isothiocyanate1-Isothiocyanato-3,5-dimethylbenzene3,5-Dimethylphenyl isothiocyanate-99%Benzene, 1-isothiocyanato-3,5-dimethyl-Isothiocyanic Acid 3,5-Dimethylphenyl Ester
Database identifiers
- CAS
40046-30-8- PubChem CID
- 142406
- DTXSID
DTXSID30193111- EC Number
- 671-053-0
- Nikkaji
- J410.658J
Properties
Physicochemical properties
- Boiling point
- 140 °C · 140 °C
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- refractive index
- 1.619 · 1.6190
- form
- clear liquid
- color
- Light orange to Yellow to Green
- Sensitive
- Moisture Sensitive
- BRN
- 6856812 · 6856812
- CAS DataBase Reference
- 40046 · 40046-30-8(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H314-H318-H331-H301+H331-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2810 · 2810
- HS Code
- 2930.9 · 2930.90.9250
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety data
- ridadr
- 2810
- hs_code
- 2930.90.9250
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07,GHS05
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H314-H318-H331-H301+H331-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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