Basic information
- CAS
13203-39-9- Standard SMILES
Cc1ccc(CCN=C=S)cc1- InChIKey
GLZKGBMKYHSHAI-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.06122053
Names & identifiers
- Preferred name
- 4-Methylphenethyl isothiocyanate
- IUPAC
- 1-(2-isothiocyanatoethyl)-4-methylbenzene
- English name
- 4-Methylphenethyl isothiocyanate
- Molecular formula
- C10H11NS
- Molecular weight
- 177.27
Names & synonyms
4-Methylphenethyl isothiocyanate13203-39-9DTXSID90157315RefChem:99922DTXCID9079806GLZKGBMKYHSHAI-UHFFFAOYSA-N1-(2-Isothiocyanatoethyl)-4-methylbenzene4-methylphenethylisothiocyanateBenzene, 1-(2-isothiocyanatoethyl)-4-methyl-MFCD00046823A806351SCHEMBL3364900
Show more names
4-Methylphenethyl isothiocyate, 99%
AKOS0063446841-(2-isothiocyanatoethyl)-4-methyl-benzeneDB-042081DB-0420821-(2-Isothiocyanatoethyl)-4-methylbenzene #1-methyl-2-(2-phenylethyl)-5-benzimidazolamine1-methyl-2-(2-phenylethyl)benzimidazol-5-amine
Database identifiers
- CAS
13203-39-9- PubChem CID
- 139409
- DTXSID
DTXSID90157315- EC Number
- 671-344-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 155 °C · 155 °C
- Density
- 1 · 1,07 g/cm3
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H318
- Precautionary statements
- 261 · P261-P280-P301+P310-P305+P351+P338-P311
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2810 · 2810
- HazardClass
- IRRITANT-HARMFUL
Safety & regulation
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
- 2810
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H301-H311-H318
- Precautionary statements
- P261-P280-P301+P310-P305+P351+P338-P311
Chemistry & industry
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [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]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
2 records
Compound notes
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