Basic information
- CAS
101096-72-4- Standard SMILES
N#CCc1ccc(Cc2ccccc2)cc1- InChIKey
RNZDBGKQDKFAPR-UHFFFAOYSA-N- Molecular formula
- C15H13N
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.10479942
Names & identifiers
- Preferred name
- 4-Benzylphenylacetonitrile
- IUPAC
- 2-(4-benzylphenyl)acetonitrile
- English name
- 4-Benzylphenylacetonitrile
- Molecular formula
- C15H13N
- Molecular weight
- 207.27
Names & synonyms
4-Benzylphenylacetonitrile101096-72-4DTXSID20344514RefChem:290357DTXCID90295589RNZDBGKQDKFAPR-UHFFFAOYSA-N2-(4-benzylphenyl)acetonitrileMFCD00060310(4-benzylphenyl)acetonitrileBenzeneacetonitrile, 4-(phenylmethyl)-4-benzyl-l-cyanomethylbenzeneSCHEMBL625190
Show more names
4-Benzylbenzyl cyanide
2-[4-benzylphenyl]ethanenitrileBEA09672AKOS015839222CS-0216094ST50408441EN300-333270F0001-0058
Database identifiers
- CAS
101096-72-4- PubChem CID
- 597531
- DTXSID
DTXSID20344514- EC Number
- 670-496-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 34 · 34-36°C
- Boiling point
- 145 · 145-150°C 0,05mm
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- Flash point
- 145 · 145-150°C/0.05m
- BRN
- 3258509 · 3258509
- CAS DataBase Reference
- 101096 · 101096-72-4(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310a-P321-P405-P501a
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36/37
- 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 (80%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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 CategoriesSkin Irrit. 2 (20%)
Safety data
- ridadr
- 3276
- risk_code
- 22
- Symbol(GHS)
- GHS06
- safety_code
- 36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310a-P321-P405-P501a
Chemistry & industry
Suppliers14 total
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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
7 records
Compound notes
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