Basic information
- CAS
3893-23-0- Standard SMILES
N#CC(c1ccccc1)C1CCCCC1- InChIKey
IZSWBXTYTALSOZ-UHFFFAOYSA-N- Molecular formula
- C14H17N
- Average molar mass
- 199.29 g/mol
- Monoisotopic mass
- 199.13609955
Names & identifiers
- Preferred name
- Cyclohexylphenylacetonitrile
- IUPAC
- 2-cyclohexyl-2-phenylacetonitrile
- English name
- Cyclohexylphenylacetonitrile
- Molecular formula
- C14H17N
- Molecular weight
- 199.29
Names & synonyms
3893-23-0CyclohexylphenylacetonitrileEINECS 223-442-8AI3-04927NSC 506DTXSID801304150Benzeneacetonitrile, alpha-cyclohexyl-alpha-CyclohexylbenzeneacetonitrileRefChem:580879DTXCID801734173223-442-82-cyclohexyl-2-phenylacetonitrile
Show more names
à-cyclohexylphenylacetonitrileà-phenylcyclohexaneacetonitrileα-CyclohexylbenzeneacetonitrileCyclohexylphenylacetonitrile,97%Benzeneacetonitrile, α-cyclohexyl-ɑ-Cyclohexylphenylacetonitrile, 98%ALPHA-PHENYLCYCLOHEXANEACETONITRILE^a-Cyclohexylphenylacetonitrile, 98%
cyclohexyl(phenyl)acetonitrileBenzeneacetonitrile, .alpha.-cyclohexyl-MFCD000193622-cyclohexyl-2-phenylethanenitrilealpha-CyclohexylphenylacetonitrileNSC5062-cyclohexyl-2-phenyl-acetonitrilecyclohexyl-phenylacetonitrile
Database identifiers
- CAS
3893-23-0- PubChem CID
- 95302
- DTXSID
DTXSID801304150- EC Number
- 223-442-8
- Nikkaji
- J217.741B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 49 · 49-55 °C
- Boiling point
- 137 · 137-140°C 3mm
- Density
- 1.0267 · 1.0267 (rough estimate)
- refractive index
- 1.5961 · 1.5961 (estimate)
- Flash point
- 137 · 137-140°C/3mm
- BRN
- 2051115 · 2051115
- Exposure limits
- 25 mg/m3 · NIOSH: IDLH 25 mg/m3
- LogP
- 3.86 · 3.860 (est)
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 302 · H302-H312-H331
- Precautionary statements
- 261 · P261-P280h-P304+P340-P311a-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26-22
- RIDADR
- 3276 · 3276
- 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 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 (90.7%)
Safety data
- ridadr
- 3276
- risk_code
- 36/37/38-20/21/22
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 36/37/39-26-22
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H331
- Precautionary statements
- P261-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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