Basic information
- CAS
5336-57-2- Standard SMILES
CCC(C#N)(CC)c1ccccc1- InChIKey
NIWOFSGCBJZYJQ-UHFFFAOYSA-N- Molecular formula
- C12H15N
- Average molar mass
- 173.25 g/mol
- Monoisotopic mass
- 173.12044948
Names & identifiers
- Preferred name
- 2-Ethyl-2-phenylbutyronitrile
- IUPAC
- 2-ethyl-2-phenylbutanenitrile
- English name
- 2-Ethyl-2-phenylbutyronitrile
- Molecular formula
- C12H15N
- Molecular weight
- 173.25
Names & synonyms
2-Ethyl-2-phenylbutyronitrile5336-57-2EINECS 226-257-0AI3-33252DTXSID10201521NSC 343EC 226-257-0Benzeneacetonitrile, alpha,alpha-diethyl-RefChem:471776DTXCID40124012226-257-02-ethyl-2-phenylbutanenitrile
Show more names
2-Ethyl-2-phenylbutronitrileα,α-DiethylbenzeneacetonitrileBenzeneacetonitrile, α,α-diethyl-1-[bis(2-chloroethyl)amino]-4-methyl-2-decyn-4-ol hydrochloride
MFCD00085560NSC3432-ethyl-2-phenyl-butyronitrileSCHEMBL13271382NSC-343Butyronitrile, 2-ethyl-2-phenyl-AKOS010213339Benzeneaceton
Database identifiers
- CAS
5336-57-2- PubChem CID
- 79260
- DTXSID
DTXSID10201521- EC Number
- 226-257-0
- Nikkaji
- J217.897D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Liquid
- NIST Chemistry Reference
- 2 · Butyronitrile, 2-ethyl-2-phenyl-(5336-57-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- REACH Registrations
- Active
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]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 2-ethyl-2-phenylbutyronitrile (EC: 226-257-0)
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- Hazard statements
- H301
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers18 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
石家庄可辰化工有限公司18633820607 18633820607 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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