Basic information
- CAS
19241-18-0- Standard SMILES
Cc1cc(C)c(N=C=S)cc1C- InChIKey
STZONCTUVBZNCF-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.06122035
Names & identifiers
- Preferred name
- 2,4,5-Trimethylphenyl isothiocyanate
- IUPAC
- 1-isothiocyanato-2,4,5-trimethylbenzene
- English name
- 2,4,5-TRIMETHYLPHENYL ISOTHIOCYANATE
- Molecular formula
- C10H11NS
- Molecular weight
- 177.27
Names & synonyms
2,4,5-Trimethylphenyl isothiocyanate19241-18-0DTXSID10172828RefChem:82051DTXCID7095319STZONCTUVBZNCF-UHFFFAOYSA-N1-Isothiocyanato-2,4,5-trimethylbenzene2,4,5-TrimethylphenylisothiocyanateBenzene,1-isothiocyanato-2,4,5-trimethyl-MFCD00041065Benzene, 1-isothiocyanato-2,4,5-trimethyl-SCHEMBL8476482
Show more names
2,4,5-Trimethylphenyl isothiocyate, 99%[(2,4,6-Trimethyl-phenylcarbamoyl)-methyl]-carbamicacidtert-butylester
2,4,5-trimethylphenyl-isothiocyanateAKOS0063439321-isothiocyanato-2,4,5-trimethyl-benzene1-Isothiocyanato-2,4,5-trimethylbenzene #DB-019818F009585
Database identifiers
- CAS
19241-18-0- PubChem CID
- 140501
- DTXSID
DTXSID10172828- EC Number
- 671-372-5
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 22 °C · 22 °C
- Boiling point
- 150 °C · 150 °C
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2811 · 2811
- HazardClass
- IRRITANT-HARMFUL
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
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
3 records
Compound notes
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