Basic information
- CAS
1195-98-8- Standard SMILES
CC(C)(C#N)c1ccccc1- InChIKey
PGQTYXFMSZUGOW-UHFFFAOYSA-N- Molecular formula
- C10H11N
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.08914935
Names & identifiers
- Preferred name
- 2-Methyl-2-phenylpropanenitrile
- IUPAC
- 2-methyl-2-phenylpropanenitrile
- English name
- 2-Methyl-2-phenylpropanenitrile
- Molecular formula
- C10H11N
- Molecular weight
- 145.2
Names & synonyms
2-methyl-2-phenylpropanenitrile1195-98-8DTXSID80383929RefChem:475193DTXCID00334953601-624-1MFCD00099614benzeneacetonitrile, alpha,alpha-dimethyl-2-methyl-2-phenyl-propionitrile2-methyl-2-phenyl-propanenitrilephenylisobutyronitrileZINC02144346
Show more names
Loxoprofen Impurity 19alpha-PhenylisobutyronitrileA,A-DIMETHYLPHENYLACETONITRILEBenzeneacetonitrile, α,α-dimethyl-alpha-Phenyl-alpha-methylpropionitrile
alpha,alpha-DimethylbenzeneacetonitrileBenzeneacetonitrile, |A,|A-dimethyl-Loxoprofen Impurity N52-PhenylisobutyronitriledimethylphenylacetonitrileSCHEMBL230672SCHEMBL6647592-Methyl-2-phenylpropionitrile
Database identifiers
- CAS
1195-98-8- PubChem CID
- 2797591
- DTXSID
DTXSID80383929- EC Number
- 601-624-1
- Nikkaji
- J486.544H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 60 °C · 60 °C
- Density
- 0.971 · 0.971±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H319-H332
- Precautionary statements
- 280 · P280-P310-P305+P351+P338
- RIDADR
- 3276 · UN3276
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 2902900000 · 2902900000
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- ridadr
- UN3276
- hs_code
- 2902900000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H319-H332
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280-P310-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers65 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
郑州鸿晟医药科技有限公司
Related reactions
12 records
Compound notes
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