Basic information
- CAS
88374-55-4- Standard SMILES
CCCCCCCCOc1ccc(C#N)cc1- InChIKey
GFNSBTARZPEIPN-UHFFFAOYSA-N- Molecular formula
- C15H21NO
- Average molar mass
- 231.33 g/mol
- Monoisotopic mass
- 231.16231429
Names & identifiers
- Preferred name
- 4-(Octyloxy)benzonitrile
- IUPAC
- 4-octoxybenzonitrile
- English name
- 4-n-Octyloxybenzonitrile
- Molecular formula
- C15H21NO
- Molecular weight
- 231.33
Names & synonyms
4-(Octyloxy)benzonitrileRefChem:516530618-154-84-n-Octyloxybenzonitrile88374-55-4p-Octyloxybenzonitrile4-octoxybenzonitrileP-(OCTYLOXY)BENZONITRILETIMTEC-BB SBB008368MFCD000434834-octyloxybenzenecarbonitrile4-Octyloxybenzonitrile
Show more names
LABOTEST-BB LT00159387AS037634-n-Octyloxycyanobenzene4-(Octyloxy)benzonitrile #Benzonitrile, 4-(octyloxy)-4-N-OCTYLOXYBENZONITRIL4-n-Octyloxybenzonitrile,98%SCHEMBL6420383
Database identifiers
- CAS
88374-55-4- PubChem CID
- 145161
- DTXSID
DTXSID10237007- EC Number
- 618-154-8
- Nikkaji
- J1.225.157B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 24 · 24-26°C
- Boiling point
- 171 · 171-173 °C2 mm Hg(lit.)
- Density
- 0.967 g/mL · 0.967 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.513(lit.)
- Flash point
- 230 °F · >230 °F
- Specific Gravity
- 0.967 · 0.967
- BRN
- 2844884 · 2844884
- CAS DataBase Reference
- 88374 · 88374-55-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 331 · H331-H302-H312-H332
- Precautionary statements
- 280 · P280-P261-P280h-P304+P340-P311a-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- RIDADR
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3276 6.1/PG 3
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H331-H302-H312-H332
- Precautionary statements
- P280-P261-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Suppliers20 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
7 records
Compound notes
Loading…