2-Iodo-2-methylpropionitrile
Basic information
- CAS
19481-79-9- Standard SMILES
CC(C)(I)C#N- InChIKey
DBESYUOJKJZGLV-UHFFFAOYSA-N- Molecular formula
- C4H6IN
- Average molar mass
- 195 g/mol
- Monoisotopic mass
- 194.9545
Names & identifiers
- Preferred name
- 2-Iodo-2-methylpropionitrile
- IUPAC
- 2-iodo-2-methylpropanenitrile
- English name
- 2-Iodo-2-methylpropionitrile
- Molecular formula
- C4H6IN
- Molecular weight
- 195
Names & synonyms
2-Iodo-2-methylpropionitrileRefChem:473669808-128-619481-79-92-Iodo-2-methylpropanenitrilePropanenitrile, 2-iodo-2-methyl-MFCD28384148SCHEMBL9051982-iodo-2-methyl-propanenitrile2-Iodo-2-methylpropanenitrile #DTXSID30338469DBESYUOJKJZGLV-UHFFFAOYSA-N
Show more names
2-Iodo-2-methylpropionitrile >Propanenitrile, 2-iodo-2-methyl-
AS-75970SY056524I0954F801506
Database identifiers
- CAS
19481-79-9- PubChem CID
- 549274
- DTXSID
DTXSID30338469- EC Number
- 808-128-6
- Nikkaji
- J1.502.255H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 87
Physicochemical properties
- Boiling point
- 62 °C/15mmHg · 62°C/15mmHg(lit.)
- Density
- 1.717 g/cm3 · 1.717 g/cm3(Temp: 19 °C)
- refractive index
- 1.513 · 1.5130-1.5170
- storage temp.
- 0 °C · <0°C
- form
- clear liquid
- color
- Light yellow to Brown
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 227 · H227-H301+H311+H331-H315-H319
- Precautionary statements
- 210 · P210-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
- RIDADR
- 3276 · 3276
- HS Code
- 2926.9 · 2926.90.5050
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
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+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- 3276
- hs_code
- 2926.90.5050
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H227-H301+H311+H331-H315-H319
- Precautionary statements
- P210-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Suppliers
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Related reactions
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Compound notes
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