Basic information
- CAS
58932-13-1- Standard SMILES
CCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
NJQLLUIPSJLJHY-UHFFFAOYSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-carbonitrile, 4'-(nonyloxy)-
- IUPAC
- 4-(4-nonoxyphenyl)benzonitrile
- English name
- 4'-(nonyloxy)[1,1'-biphenyl]-4-carbonitrile
- Molecular formula
- C22H27NO
- Molecular weight
- 321.46
Names & synonyms
4-Cyano-4'-nonoxybiphenyl[1,1'-Biphenyl]-4-carbonitrile, 4'-(nonyloxy)-4'-(nonyloxy)[1,1'-biphenyl]-4-carbonitrileEINECS 261-503-0DTXSID60692944'-(Nonyloxy)(1,1'-biphenyl)-4-carbonitrile(1,1'-Biphenyl)-4-carbonitrile, 4'-(nonyloxy)-RefChem:204000DTXCID3042504261-503-058932-13-14-(4-nonoxyphenyl)benzonitrile
Show more names
Nonyloxycyanobiphenyl4'-[(Non-1-yl)oxy]-[1,1'-biphenyl]-4-carbonitrile
4'-Cyano-4-nonyloxybiphenyl9OCBMFCD003886584'-(NONYLOXY)-[1,1'-BIPHENYL]-4-CARBONITRILE4'-Nonyloxy-4-biphenylcarbonitrile4-(4-nonyloxyphenyl)benzenecarbonitrile4'-nonyloxy-4-cyanobiphenyl4-nonyloxy-4'-cyanobiphenyl
Database identifiers
- CAS
58932-13-1- PubChem CID
- 100887
- DTXSID
DTXSID6069294- EC Number
- 261-503-0
- Nikkaji
- J308.570H
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 467.5 · 467.5±38.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-(nonyloxy)- (58932-13-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- HS Code
- 2926907090 · 2926907090
Safety & regulation
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-(nonyloxy)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers20 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 031166536426 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
1 records
Compound notes
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