2-(Isothiocyanatomethyl)oxolane
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Basic information
- CAS
36810-87-4- Standard SMILES
S=C=NCC1CCCO1- InChIKey
CSFIFTGMGITVRE-UHFFFAOYSA-N- Molecular formula
- C6H9NOS
- Average molar mass
- 143.21 g/mol
- Monoisotopic mass
- 143.04048508
Names & identifiers
- Preferred name
- 2-(Isothiocyanatomethyl)oxolane
- IUPAC
- 2-(isothiocyanatomethyl)oxolane
- English name
- 2-TETRAHYDROFURFURYL ISOTHIOCYANATE
- Molecular formula
- C6H9NOS
- Molecular weight
- 143.21
Names & synonyms
36810-87-42-(isothiocyanatomethyl)oxolaneDTXSID90958021RefChem:461146DTXCID701385941665-974-72-(Isothiocyanatomethyl)tetrahydrofuran2-Tetrahydrofurfuryl isothiocyanatetetrahydrofurfuryl isothiocyanateMFCD00022476tetrahydrofuran-2-ylmethyl isothiocyanateoxolan-2-ylmethanisothiocyanate
Show more names
AKOS B0067832-isothiocyanato-2-methyloxolaneTetrahydrofurfurylisothiocyanate,98%2-Tetrahydrofurfuryl isothiocyate, 99%2-(Isothiocyanatomethyl)tetrahydrofuran97%2-(Isothiocyanatomethyl)tetrahydrofuran 97%
SCHEMBL1457218HMS1784L18ALBB-004711BBL012474SBB017396STK3978482-isothiocyanatomethyl-tetrahydro-furanAKOS000212139
Database identifiers
- CAS
36810-87-4- PubChem CID
- 142108
- DTXSID
DTXSID90958021- EC Number
- 665-974-7
- Nikkaji
- J308.279B
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 123 °C · 123°C 18mm
- Density
- 1 · 1,12 g/cm3
- refractive index
- 1.535 · 1.5350
- Flash point
- 122 · 122-125°C/18mm
- Specific Gravity
- 1.12 · 1.12
- Sensitive
- Moisture Sensitive/Lachrymatory
- BRN
- 111696 · 111696
- CAS DataBase Reference
- 36810 · 36810-87-4(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H314-H318-H331
- Precautionary statements
- 280 · P280-P303+P361+P353-P305+P351+P338-P309-P310
- Hazard Codes
- C,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-34
- Safety Statements
- 26 · 26-36/37/39-45
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
Danger
H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (11.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P260, P261, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (86.7%)；Acute Tox. 4 (11.1%)；Acute Tox. 4 (11.1%)；Skin Corr. 1B (11.1%)；Acute Tox. 3 (11.1%)
Safety data
- ridadr
- 2810
- hs_code
- 38220090
- risk_code
- 20/21/22-36/37/38-34
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C,Xi
- hazard_note
- Harmful/Corrosive/Lachrymatory/Moisture Sensitive
Suppliers
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Related reactions
3 records
Compound notes
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