Basic information
- CAS
201224-92-2- Standard SMILES
CC(C)C(C)N=C=S- InChIKey
YAVRRVJBEIYPRH-UHFFFAOYSA-N- Molecular formula
- C6H11NS
- Average molar mass
- 129.23 g/mol
- Monoisotopic mass
- 129.06122053
Names & identifiers
- Preferred name
- 2-Isothiocyanato-3-methylbutane
- IUPAC
- 2-isothiocyanato-3-methylbutane
- English name
- 3-Methyl-2-butyl isothiocyanate
- Molecular formula
- C6H11NS
- Molecular weight
- 129.22
Names & synonyms
3-Methyl-2-butyl isothiocyanate201224-92-22-Isothiocyanato-3-methylbutane3-Methyl-2-butylisothiocyanateMFCD00060388Butane,2-isothiocyanato-3-methyl-SCHEMBL9448221,2-dimethylpropyl isothiocyanate2-isothiocyanato-3-methyl-butaneDTXSID503370702-Isothiocyanato-3-methylbutane #Butane, 2-isothiocyanato-3-methyl-
Show more names
3-Methyl-2-butyl isothiocyate, 99%
AKOS009272154FS-4673BP-12869F009527
Database identifiers
- CAS
201224-92-2- PubChem CID
- 538342
- DTXSID
DTXSID50337070- EC Number
- 671-300-2
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 164 · 164-167°C
- Density
- 0 · 0,93 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2810 · 2810
- HazardClass
- IRRITANT-HARMFUL
- HS Code
- 2930909899 · 2930909899
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
- 2810
- hs_code
- 2930909899
- 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
- P280-P302+P352-P362+P364
Chemistry & industry
Suppliers8 total
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 13318593351 · [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]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [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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